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List of which calculations are completed at HF /cc-pV(T+d)Z

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 H2- hydrogen diatomic anion 2Σu+D∞h
7 H2+ Hydrogen cation 2Σg+D∞h
8 HD Deuterium hydride 1ΣgD∞h
9 H3+ hydrogen trimer cation 1A1'D3h
10 He Helium atom 1SKh
11 He2+ helium diatomic cation 2ΣuD∞h
12 Li Lithium atom 2SKh
13 Na Sodium atom 2SKh
14 Na+ Sodium atom cation 1SKh
15 LiH Lithium Hydride 1ΣC∞v
16 LiH- lithium hydride anion 2ΣC∞v
17 LiH+ lithium hydride cation 2ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 NaH- sodium hydride anion 2ΣC∞v
20 NaH+ sodium hydride cation 2ΣC∞v
21 Be Beryllium atom 1SKh
22 Mg Magnesium atom 1SKh
23 BeH beryllium monohydride 2ΣC∞v
24 BeH- berylium monohydride anion 1ΣC∞v
25 BeH+ beryllium monohydride cation 1ΣC∞v
26 MgH magnesium monohydride 2ΣC∞v
27 MgH- magnesium monohydride anion 1ΣC∞v
28 MgH+ magnesium monohydride cation 1ΣC∞v
29 BeH2 beryllium dihydride 1ΣgD∞h
30 MgH2 magnesium dihydride 1ΣgD∞h
31 B Boron atom 2PKh
32 Al Aluminum atom 2PKh
33 BH Boron monohydride 1ΣC∞v
34 BH- boron monohydride anion 2ΠC∞v
35 BH+ boron monohydride cation 2ΣC∞v
36 AlH aluminum monohydride 1ΣC∞v
37 BH2 boron dihydride 2A1C2v
38 AlH2 aluminum dihydride 2A1C2v
39 BH3 boron trihydride 1A1'D3h
40 AlH3 aluminum trihydride 1A1'D3h
41 BH4- borohydride anion 1A1Td
42 AlH4- Aluminum tetrahydride anion 1A1Td
43 C Carbon atom 3P0Kh
44 Si Silicon atom 3PKh
45 CH Methylidyne 2Π1/2C∞v
46 CH- methylidyne anion 3ΣC∞v
47 CH+ Methylidyne cation 1ΣC∞v
48 SiH Silylidyne 2ΠC∞v
49 CH2 Methylene 3B1C2v
50 CH2 Methylene 1A1C2v
51 CH2- methylene anion 2B1C2v
52 CH2+ methylene cation 2A1C2v
53 SiH2 silicon dihydride 1A1C2v
54 SiH2 silicon dihydride 3B1C2v
55 CH3 Methyl radical 2A1D3h
56 CH3- methyl anion 1A1C3v
57 CH3+ methyl cation 1A1'D3h
58 SiH3 Silyl radical 2A1C3v
59 SiH3+ Silyl cation 1A1'D3h
60 CH4 Methane 1A1Td
61 SiH4 Silane 1A1Td
62 P Phosphorus atom 4SKh
63 NH Imidogen 3Σ-C∞v
64 NH Imidogen 1Σ+C∞v
65 NH- Imidogen anion 2ΠC∞v
66 NH+ imidogen cation 2ΠC∞v
67 PH phosphorus monohydride 3Σ-C∞v
68 PH phosphorus monohydride 1ΔC∞v
69 ND2 Amidogen-d2 2B1C2v
70 NH2 Amino radical 2B1C2v
71 NH2- amino anion 1A1C2v
72 PH2 Phosphino radical 2B1C2v
73 ND3 Ammonia-d3 1A1C3v
74 NH3 Ammonia 1A1C3v
75 NH3+ ammonia cation 2A2"D3h
76 PH3 Phosphine 1A1C3v
77 NH4+ ammonium cation 1A1Td
78 PH4+ phosphonium cation   
79 O Oxygen atom 3SKh
80 S Sulfur atom 3PKh
81 DO Hydroxyl-d 2ΠC∞v
82 OH Hydroxyl radical 2ΠC∞v
83 OH- hydroxide anion 1ΣC∞v
84 OH+ hydoxyl cation 3ΣC∞v
85 OH+ hydoxyl cation 1ΣC∞v
86 DS Mercapto-d 2ΠC∞v
87 HS Mercapto radical 2ΠC∞v
88 HS- mercapto anion 1ΣC∞v
89 HS+ sulfur monohydride cation 3ΣC∞v
90 D2O Deuterium oxide 1A1C2v
91 H2O Water 1A1C2v
92 H2O- water anion 2A1C2v
93 H2O+ water cation 2B1C2v
94 HDO Water-d1 1A1C2v
95 D2S Hydrogen sulfide-d2 1A1C2v
96 H2S Hydrogen sulfide 1A1C2v
97 H2S+ Hydrogen sulfide cation 2B1C2v
98 H3O+ hydronium cation 1A1C3v
99 H3S+ Sulfonium cation 1A1C3v
100 F Fluorine atom 2PKh
101 Cl Chlorine atom 2PKh
102 DF Hydrofluoric acid-d 1ΣC∞v
103 HF Hydrogen fluoride 1ΣC∞v
104 HF- hydrogen fluoride anion 2ΣC∞v
105 HF+ hydrogen fluoride cation 2ΠC∞v
106 HCl Hydrogen chloride 1ΣC∞v
107 HCl- hydrogen chloride anion 2ΣC∞v
108 HCl+ hydrogen chloride cation 2ΠC∞v
109 H2F+ dihydrogen fluoride cation 1A1C2v
110 H2Cl+ dihydrogen monochloride cation 1A1C2v
111 Ne Neon atom 1SKh
112 NeH+ neon hydrogen cation 1ΣC∞v
113 Li2 Lithium diatomic 1ΣgD∞v
114 Li2- lithium diatomic anion 2ΣuD∞h
115 Li2+ lithium diatomic cation 2ΣgD∞h
116 NaLi lithium sodium 1ΣC∞v
117 NaLi- lithium sodium anion 2ΣC∞v
118 NaLi+ lithium sodium cation 2ΣC∞v
119 Na2 Sodium diatomic 1ΣgD∞h
120 Na2- sodium diatomic anion 2ΣuD∞h
121 Na2+ sodium diatomic cation 2ΣgD∞h
122 Be2- Beryllium diatomic anion 2ΠuD∞h
123 Be2+ Beryllium diatomic cation 2ΣuD∞h
124 Mg2- magnesium diatomic anion 2ΠUD∞h
125 Mg2+ magnesium diatomic cation 2ΣuD∞h
126 B2 Boron diatomic 3ΣgD∞h
127 B2 Boron diatomic 1ΣgD∞h
128 B2 Boron diatomic 5ΣuD∞h
129 B2- Boron diatomic anion 4ΣgD∞h
130 BAl Boron Aluminum 3ΣC∞v
131 B2H6 Diborane 1AgD2h
132 BC- boron monocarbide anion 3ΠuC∞v
133 BC- boron monocarbide anion 1Σg+C∞v
134 BC+ boron monocarbide cation 3ΣC∞v
135 BC+ boron monocarbide cation 1ΣC∞v
136 AlC Aluminum carbide 4ΣC∞v
137 C2 Carbon diatomic 1Σg+D∞h
138 C2 Carbon diatomic 3ΠuD∞h
139 C2- carbon diatomic anion 2ΣgD∞h
140 C2+ carbon diatomic cation 2ΠD∞h
141 SiC silicon monocarbide 3ΣC∞v
142 SiC silicon monocarbide 1ΣC∞v
143 Si2 Silicon diatomic 3ΣgD∞h
144 C2H Ethynyl radical 2ΣC∞v
145 C2H2 Acetylene 1ΣgD∞h
146 C2H2+ acetylene cation 2ΠuD∞h
147 CCH2 vinylidene 1A1C2v
148 C2H3 vinyl 2A'Cs
149 C2H4 Ethylene 1AgD2h
150 C2H5 Ethyl radical 2A'Cs
151 C2H6 Ethane 1A1gD3d
152 CH3SiH3 methyl silane 1A1C3
153 Si2H6 disilane 1EuD3d
154 BeN- Beryllium mononitride anion 1ΣC∞v
155 BN- boron nitride anion 2ΣC∞v
156 BN boron nitride 3ΠC∞v
157 BN boron nitride 1ΣC∞v
158 BN+ boron nitride cation 2ΠC∞v
159 AlN Aluminum nitride 3ΠiC∞v
160 CN Cyano radical 2ΣC∞v
161 CN- cyanide anion 1ΣC∞v
162 CN+ Cyano cation 1ΣC∞v
163 CP Carbon monophosphide 2ΣC∞v
164 SiN Silicon nitride 2ΣC∞v
165 SiP Silicon monophosphide 2ΠC∞v
166 N2 Nitrogen diatomic 1ΣgD∞h
167 N2- nitrogen diatomic anion 2ΠgD∞h
168 N2+ diatomic nitrogen cation 2ΣgD∞h
169 PN Phosphorus mononitride 1ΣC∞v
170 P2 Phosphorus diatomic 1ΣgD∞h
171 HNC hydrogen isocyanide 1ΣC∞v
172 HCN Hydrogen cyanide 1ΣC∞v
173 HCN+ hydrogen cyanide cation 2ΠC∞v
174 HCP Phosphaethyne 1ΣC∞v
175 NNH Dinitrogen monohydride 2A'Cs
176 HPO Hydrogen phosphorus oxide 1A'Cs
177 N2H2 (E)-diazene 1AgC2h
178 CH2NH Methanimine 1A'Cs
179 CH2PH Phosphaethene 1A'Cs
180 CH2NH2+ methyleneamine cation 1A1C2v
181 N2H4 Hydrazine 1AC2
182 P2H4 Diphosphine 1AC2
183 CH3NH2 methyl amine 1A'Cs
184 BH3PH3 borane phosphine   
185 LiO lithium oxide 2ΣC∞v
186 LiO- lithium oxide anion 1ΣC∞v
187 LiO+ lithium oxide cation 3ΣC∞v
188 LiO+ lithium oxide cation 1ΣC∞v
189 LiS Lithium monosulfide 2ΠC∞v
190 NaO sodium monoxide 2ΣC∞v
191 NaO- sodium oxide anion 1ΣC∞v
192 NaO+ sodium oxide cation 3ΣC∞v
193 BeO beryllium oxide 1ΣC∞v
194 BeO- Beryllium monoxide anion 2ΣC∞v
195 BeO+ Beryllium monoxide cation 2ΠC∞v
196 BeS beryllium sulfide 1ΣC∞v
197 MgO magnesium oxide 1Σ+C∞v
198 MgO- magnesium oxide anion 2ΣC∞v
199 MgO+ magnesium oxide cation 2ΠC∞v
200 MgS magnesium sulfide 1ΣC∞v
201 CaS Calcium sulfide 1ΣC∞v
202 BO boron monoxide 2ΣC∞v
203 BO- boron monoxide anion 1ΣC∞v
204 AlO Aluminum monoxide 2ΣC∞v
205 BS boron sulfide 2ΣC∞v
206 AlS Aluminum sulfide 2ΣC∞v
207 BO+ boron monoxide cation 1ΣC∞v
208 CO Carbon monoxide 1ΣC∞v
209 CO- carbon monoxide anion 2ΠC∞v
210 CO+ carbon monoxide cation 2ΣC∞v
211 CS carbon monosulfide 1ΣC∞v
212 SiO Silicon monoxide 1ΣC∞v
213 SiS silicon monosulfide 1ΣC∞v
214 GeO Germanium monoxide 1ΣC∞v
215 SiSe Silicon Monoselenide   
216 NO Nitric oxide 2ΠC∞v
217 NO- nitric oxide anion 3ΣC∞v
218 NO- nitric oxide anion 1ΔC∞v
219 NO+ nitric oxide cation 1ΣC∞v
220 NS Mononitrogen monosulfide 2ΠC∞v
221 PO Phosphorus monoxide 2ΠC∞v
222 PS phosphorus sulfide 2ΣC∞v
223 O2 Oxygen diatomic 3ΣgD∞h
224 O2- oxygen diatomic anion 2ΠD∞h
225 O2+ diatomic oxygen cation 2ΠgD∞h
226 SO Sulfur monoxide 3ΣC∞v
227 SO Sulfur monoxide 1ΣC∞v
228 SO+ sulfur monoxide cation 2ΠC∞v
229 S2 Sulfur diatomic 3ΣgD∞h
230 S2+ sulfur diatomic cation 2ΠD∞h
231 Se2 Selenium diatomic 3ΣgD∞h
232 LiOH lithium hydroxide 1ΣC∞v
233 NaOH sodium hydroxide 1ΣC∞v
234 BeOH beryllium monohydroxide 2A'Cs
235 MgOH magnesium hydroxide 2A'Cs
236 HBO Boron hydride oxide 1ΣC∞v
237 HBS hydrogen boron sulfide 1ΣC∞v
238 HCO Formyl radical 2A'Cs
239 HCS Thioformyl radical 2A'Cs
240 HNO Nitrosyl hydride 1A'Cs
241 HO2 Hydroperoxy radical 2A"Cs
242 HSO+ Sulfur Monoxide, S-protonated   
243 SOH Sulfur Hydroxide   
244 SOH+ Sulfur Monoxide, protonated   
245 H2CO Formaldehyde 1A1C2v
246 H2CO+ formaldehyde cation 2B2C2v
247 H2CS Thioformaldehyde 1A1C2v
248 H2CSe Selenoformaldehyde   
249 H2O2 Hydrogen peroxide 1AC2
250 H2S2 Disulfane 1AC2
251 H2S2+ hydrogen disulfide cation 2BgC2h
252 CH2OH Hydroxymethyl radical 2AC1
253 CH2OH+ hydroxymethyl cation 1A'Cs
254 CH3O Methoxy radical 2A'C1
255 CH3S thiomethoxy 2A'C3v
256 H2CSH+ Thioformaldehyde, protonated 1A'Cs
257 NH2OH hydroxylamine 1A'Cs
258 H2POH Phosphinous acid 1A1'CS trans
259 H2POH Phosphinous acid 1A1'CS cis
260 H3PO Phosphine oxide 1A1C3v
261 CH3OH Methyl alcohol 1A'Cs
262 CH3SH Methanethiol 1A'Cs
263 CH3SH2+ protonated methylsulfide 1A'Cs
264 LiF lithium fluoride 1ΣC∞v
265 LiCl lithium chloride 1ΣC∞v
266 LiCl- lithium chloride anion 2ΣC∞v
267 LiCl+ lithium chloride cation 2ΠC∞v
268 NaF sodium fluoride 1ΣC∞v
269 NaF- sodium fluoride anion 2ΣC∞v
270 NaF+ sodium fluoride cation 2ΣC∞v
271 NaCl Sodium Chloride 1ΣC∞v
272 NaCl- sodium chloride anion 2ΣC∞v
273 NaCl+ sodium chloride cation 2ΠC∞v
274 LiF- lithium fluoride anion 2ΣC∞v
275 LiF+ lithium fluoride cation 2ΠC∞v
276 BeF Beryllium monofluoride 2ΣC∞v
277 BeF- Beryllium monofluoride anion 1ΣC∞v
278 BeF+ Beryllium monofluoride cation 1ΣC∞v
279 BeCl beryllium monochloride 2ΣC∞v
280 MgF Magnesium monofluoride 2ΣC∞v
281 MgF- magnesium fluoride anion 1ΣC∞v
282 MgF+ magnesium fluoride cation 1ΣC∞v
283 MgCl magnesium monochloride 2ΣC∞v
284 MgCl- magnesium monochloride anion 1ΣC∞v
285 MgCl+ magnesium monochloride cation 1ΣC∞v
286 BeCl- beryllium monochloride anion 1ΣC∞v
287 BeCl+ beryllium monochloride cation 1ΣC∞v
288 BF Boron monofluoride 1ΣC∞v
289 BF- Boron monofluoride anion 2ΠC∞v
290 BF+ Boron monofluoride cation 2ΣC∞v
291 AlF Aluminum monofluoride 1Σ+C∞v
292 BCl boron monochloride 1ΣC∞v
293 BCl- boron monochloride anion 2ΠC∞v
294 BCl+ boron monochloride cation 2ΣC∞v
295 AlCl Aluminum monochloride 1ΣC∞v
296 AlCl- aluminum monochloride anion 2ΠC∞v
297 AlCl+ aluminum monochloride cation 2ΣC∞v
298 CF Fluoromethylidyne 2ΠC∞v
299 CF- carbon monofluoride anion 3ΣC∞v
300 CF- carbon monofluoride anion 1ΣC∞v
301 CF+ carbon monofluoride cation 1ΣC∞v
302 CCl carbon monochloride 2ΠC∞v
303 CCl- carbon monochloride anion 3ΣC∞v
304 CCl+ carbon monochloride cation 1ΣC∞v
305 SiF silicon monofluoride 2ΠC∞v
306 SiF+ silicon monofluoride cation 1ΣC∞v
307 SiCl Clorosilylidyne 2ΠC∞v
308 SiCl- silicon monochloride anion 3ΣC∞v
309 SiCl+ silicon monochloride cation 1ΣC∞v
310 NF nitrogen fluoride 3ΣC∞v
311 NF nitrogen fluoride 1ΣC∞v
312 NF- nitrogen monofluorine anion 2ΠC∞v
313 NF+ nitrogen monofluoirde cation 2ΠC∞v
314 NCl nitrogen monochloride 3ΣC∞v
315 NCl- nitrogen monochloride anion 2ΠC∞v
316 NCl+ nitrogen monochloride cation 2ΠC∞v
317 PF phosphorus monofluoride 3ΣC∞v
318 PCl phosphorus chloride 3ΣC∞v
319 PCl- phosphorus monochloride anion 2ΠC∞v
320 PCl+ phosphorus monochloride cation 2ΠC∞v
321 FO Oxygen monofluoride 2ΠC∞v
322 FO- flourine oxide anion 1ΣC∞v
323 FO+ fluorine monoxide cation 3ΣC∞v
324 ClO Monochlorine monoxide 2ΠC∞v
325 ClO+ chlorine monoxide cation 3ΣC∞v
326 SF Monosulfur monofluoride 2ΠC∞v
327 SF+ sulfur monofluoride cation 3ΣC∞v
328 SCl sulfur monochloride 2ΠC∞v
329 SCl- sulfur monochloride anion 1ΣC∞v
330 SCl+ sulfur monochloride cation 3ΣgC∞v
331 SBr Sulfur monobromide radical   
332 F2 Fluorine diatomic 1ΣgD∞h
333 F2- flourine diatomic anion 2ΣuD∞h
334 F2+ flourine diatomic cation 2ΠgD∞h
335 ClF Chlorine monofluoride 1Σ+C∞v
336 ClF- clorine monofluoride anion 2ΣC∞v
337 ClF+ clorine monofluoride cation 2ΠC∞v
338 Cl2 Chlorine diatomic 1ΣgD∞h
339 Cl2- chlorine diatomic anion 2ΣuD∞h
340 Cl2+ chlorine diatomic cation 2ΠgD∞h
341 HCF Fluoromethylene 1A'Cs
342 HOF Hypofluorous acid 1A'Cs
343 HOCl hypochlorous acid 1A'Cs
344 CH2Cl chloromethyl radical 2A'Cs
345 H2F2 Hydrogen fluoride dimer 1AgCs
346 CH3F Methyl fluoride 1A1C3v
347 CH3Cl Methyl chloride 1A1C3v
348 SiH3F monofluorosilane 1A1C3v
349 SiH3Cl chlorosilane 1A1C1
350 C3 carbon trimer 1ΣgD∞h
351 C3H3 Propargyl radical 2B1Cs
352 CH2CCH2 allene 1A1D2d
353 CH3CCH propyne 1A'C3v
354 C3H6 Cyclopropane 1A1'D3h
355 CH2CHCH3 Propene 1A'Cs
356 C3H7 n-Propyl radical 2A"C1
357 C3H8 Propane 1A1C2v
358 SiH2(CH3)2 dimethylsilane 1A1C2v
359 Si3H8 trisilane   
360 HN3 hydrogen azide 1A'Cs
361 CH2NN diazomethane 1A1C2v
362 CH3CN Acetonitrile 1A1C3v
363 CH3NC methyl isocyanide 1A1C3v
364 NHCHNH2 aminomethanimine 1AC1
365 C2H5N Aziridine 1A'C1
366 CH3CH2NH2 Ethylamine 1A'Cs
367 CH3NHCH3 Dimethylamine 1A'Cs
368 Li2O dilithium oxide 1ΣgD∞h
369 Li2S dilithium sulfide 1ΣGD∞h
370 Li2S dilithium sulfide 1A1C2v
371 SCN thiocyanato radical 2ΠC∞v
372 SCN- thiocyanide anion 1ΣC∞v
373 BO2 Boron dioxide 2A'D∞h
374 N2O Nitrous oxide 1ΣC∞v
375 NNS Nitrogen sulfide 1ΣC∞v
376 CO2 Carbon dioxide 1ΣgD∞h
377 OCS Carbonyl sulfide 1ΣC∞v
378 SiO2 silicon dioxide 1ΣgD∞h
379 CS2 Carbon disulfide 1ΣgD∞h
380 SiS2 Silicon disulfide 1ΣGD∞h
381 NO2 Nitrogen dioxide 2A1C2v
382 NSO sulfinyl amidogen   
383 PO2 Phosphorus dioxide 2A1C2v
384 SNO Nitrogen oxide sulfide   
385 O3 Ozone 1A1Cs
386 SO2 Sulfur dioxide 1A1C2v
387 SSO Disulfur monoxide 1A'Cs
388 S3 Sulfur trimer 1A1C2v
389 S3 Sulfur trimer   
390 S3+ Sulfur trimer cation 2B2C2v
391 HCCO ketenyl radical 2A"Cs
392 HCNO fulminic acid 1ΣC∞v
393 HNCO Isocyanic acid 1A'Cs
394 HOCN cyanic acid 1A'Cs
395 HCO2- formate anion 1A1C2v
396 HOCO Hydrocarboxyl radical 1A'cis
397 HOCO Hydrocarboxyl radical 1A'trans
398 HNO2 Nitrous acid 1A'Cs
399 CH2CO Ketene 1A1C2v
400 HCCOH ethynol 1A'Cs
401 CH2CS Thioketene   
402 CH2O2 Dioxirane 1A1C2v
403 HCOOH Formic acid 1A'Cs
404 HSSSH trisulfane 1AC2
405 HSSSH trisulfane 1A'Cs
406 CH3CO Acetyl radical 2A'Cs
407 CHONH2 formamide 1A'Planar
408 CH3OO methylperoxy radical 2A"Cs
409 C2H4O Ethylene oxide 1A1C2v
410 CH2CHOH ethenol 1A'Cs
411 CH3CHO Acetaldehyde 1A'Cs
412 C2H4S Thiirane 1A1C2v
413 CH3CHS Thioacetaldehyde 1A'C1
414 CH3OOH Methyl peroxide 1AC1
415 CH3SSH Hydrogen methyl disulfide   
416 CH3CH2OH Ethanol 1A'Cs
417 CH3OCH3 Dimethyl ether 1A1C2v
418 CH3CH2SH ethanethiol 1A'Cs
419 CH3SCH3 Dimethyl sulfide 1A1C2v
420 FCN Cyanogen fluoride 1ΣC∞v
421 ClCN chlorocyanogen 1ΣC∞v
422 MgCl2 Magnesium dichloride 1ΣgC2v
423 FNO Nitrosyl fluoride 1A'Cs
424 ClNO Nitrosyl chloride 1A'Cs
425 FNS Thionitrosyl fluoride 1A'Cs
426 FSN Thiazyl fluoride 1A'Cs
427 OPCl Phosphorus oxychloride   
428 CF2 Difluoromethylene 1A1D∞h
429 CCl2 dichloromethylene 1A1C2v
430 SiCl2 Dichlorosilylene 1A1C2v
431 GeCl2 Germanium dichloride 1A1C2v
432 FOO Dioxygen monofluoride radical 2A"Cs
433 ClOO chloroperoxy radical 2A"Cs
434 OClO Chlorine dioxide 2B1D∞h
435 ClS2 Sulfur chloride 2A"Cs
436 NF2 Difluoroamino radical 2B1C2v
437 FClO chlorosyl fluoride 1A'Cs
438 F2O Difluorine monoxide 1A1C2v
439 ClOF Chlorine hypofluorite 1A'Cs
440 SF2 sulfur difluoride 1A1C2v
441 Cl2O Dichlorine monoxide 1A1C2v
442 SCl2 Sulfur dichloride 1A1C2v
443 SeCl2 Selenium Dichloride   
444 SBr2 Sulfur dibromide   
445 SeBr2 Selenium dibromide   
446 HCCF Fluoroacetylene 1ΣC∞v
447 HFCO formyl fluoride 1A'Cs
448 BHF2 Difluoroborane 1A1C2v
449 BHCl2 Borane, dichloro- 1A1C2v
450 CH2F2 Methane, difluoro- 1A1C2v
451 CH2FCl fluorochloromethane 1A'Cs
452 CH2Cl2 Methylene chloride 1A1C2v
453 SiH2Cl2 dichlorosilane 1A1C2v
454 CH2CHF Ethene, fluoro- 1A'Cs
455 C2H3Cl Ethene, chloro- 1A'Cs
456 C2H5F fluoroethane 1A'Cs
457 C4 Carbon tetramer 3ΣgD∞h
458 C4H2 Diacetylene 1ΣgD∞h
459 C2H3CCH 1-Buten-3-yne 1A'C1
460 H2CCCCH2 Butatriene 1AgD2h
461 C4H6 1-Methylcyclopropene 1AC1
462 C4H6 Cyclobutene 1A1C2v
463 C4H6 Methylenecyclopropane 1A1C2v
464 CH2CCHCH3 1,2-Butadiene 1A'C1
465 CH2CHCHCH2 1,3-Butadiene 1AgC2h
466 CH3CCCH3 2-Butyne 1A1'D3h
467 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
468 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
469 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
470 C(CH3)3 Tert-butyl radical 2A"C3v
471 CH2CH(CH3)2 Isobutyl radical 2A'C1
472 CH3CHCH2CH3 2-Butyl radical 1AC1
473 CH3CH(CH3)CH3 Isobutane 1A1C3v
474 CH3CH2CH2CH3 Butane 1AgAnti
475 SiH(CH3)3 trimethylsilane 1A1C3v
476 C2N2 Cyanogen 1ΣgD∞h
477 P4 Phosphorus tetramer 1A1Td
478 HCCCN Cyanoacetylene 1ΣC∞v
479 C3H3N acrylonitrile 1A'Cs
480 C3H7N Cyclopropylamine 1A'C1
481 C4H8 cyclobutane 1A1D2d
482 C2H8N2 Ethylenediamine 1AgC2h
483 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
484 N(CH3)3 Trimethylamine 1A1C3v
485 B2O2 Diboron dioxide 1ΣgD∞h
486 S2N2 Disulfur dinitride 1AGD2h
487 CO3-- carbonate 1A1'D3h
488 CS3-- Carbonotrithioate   
489 NO3 Nitrogen trioxide 2A1'all bonds equal
490 SO3 Sulfur trioxide 1A1'D3h
491 S4 Sulfur tetramer   
492 S4 Sulfur tetramer   
493 S4 Sulfur tetramer   
494 HNO3 Nitric acid 1A'Cs
495 C2H2O2 Ethanedial 1AgC2h
496 CH3COO- acetate anion 1A'eclipsed
497 CH3ONO Methyl nitrite 1A'C1
498 H3AlO3 Aluminum hydroxide   
499 C3H4O allenol 1A'Cs
500 C3H4O Cyclopropanone 1A1C2v
501 CH2CHCHO Acrolein 1A'Cs
502 NH2CONH2 Urea 1AC2
503 NH2CSNH2 Thiourea 1AC2
504 CH3COOH Acetic acid 1A'Cs
505 CH3OCHO methyl formate 1A'Cs
506 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
507 CH3CHNOH Acetaldoxime 1A'CS trans
508 CH3CONH2 Acetamide 1A'C1
509 CH3CSNH2 Ethanethioamide   
510 C3H6O Propylene oxide 1AC1
511 CH3CH2CHO Propanal 1A'Cs
512 CH3COCH3 Acetone 1A1C2v
513 C3H6S Thietane 1A'Cs
514 C2H6O2 1,2-Ethanediol 1AgC2h
515 CH3SSCH3 Disulfide, dimethyl 1AC2
516 C3H7OH 1-Propanol 1A'Cs
517 CH3CHOHCH3 Isopropyl alcohol 1AC1
518 CH3OC2H5 Ethane, methoxy- 1A'Cs
519 C2F2 difluoroacetylene 1ΣgD∞h
520 C2Cl2 dichloroacetylene 1ΣgC2h
521 ClNO2 Nitryl chloride 1A1C2v
522 N2F2 (Z)-Difluorodiazene 1A1C2v
523 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
524 CF2O Carbonic difluoride 1A1C2v
525 CCl2O Phosgene 1A1C2v
526 Cl2CS Thiophosgene 1A1C2v
527 BF3 Borane, trifluoro- 1A'D3h
528 AlF3 Aluminum trifluoride 1A1'D3h
529 AlF2Cl Aluminum chloride difluoride 1A1C2v
530 AlFCl2 Aluminum dichloride fluoride 1A1C2v
531 BCl3 Borane, trichloro- 1A1'D3h
532 AlCl3 Aluminum trichloride 1A1'D3h
533 ClO3- chlorate anion 1A1C3v
534 CF3 Trifluoromethyl radical 2A1C3v
535 SiF3 Silicon trifluoride radical 2A1C3v
536 SiCl3 trichlorosilyl radical 2A1C3v
537 SiCl3+ trichlorosilyl cation 1A1'D3h
538 ClO2F Chloryl fluoride 1A'Cs
539 F2SO Thionyl Fluoride 1A'Cs
540 FSSF Difluorodisulfane 1AC2
541 S2F2 Thio-thionyl fluoride 1A'Cs
542 SOCl2 thionyl chloride 1A'Cs
543 SSCl2 Thiothionyl chloride   
544 NF3 Nitrogen trifluoride 1A1C3v
545 PF3 Phosphorus trifluoride 1A1C3v
546 NCl3 nitrogen trichloride 1A1C3v
547 PCl3 Phosphorus trichloride 1A1C3v
548 ClSSCl Disulfur dichloride 1AC2
549 SF3 Sulfur trifluoride 2A'Cs
550 ClF3 Chlorine trifluoride 1A1'D3h
551 ClF3 Chlorine trifluoride 1A1C2v
552 HClO3 Chloric Acid 1AC1
553 CHF3 Methane, trifluoro- 1A1C3v
554 CHF2Cl difluorochloromethane 1A'Cs
555 CHFCl2 fluorodichloromethane 1A'Cs
556 CHCl3 Chloroform 1A1C3v
557 SiHCl3 Trichlorosilane 1A1C3v
558 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
559 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
560 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
561 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
562 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
563 CH3COF Acetyl fluoride 1A'NULL
564 CH3COCl Acetyl Chloride 1A'Cs
565 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
566 C5H5- cylopentadienyl anion 1A1'D5h
567 C5H6 1,3-Cyclopentadiene 1A1C2v
568 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
569 C5H6 3-Penten-1-yne, (E)- 1A'Cs
570 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
571 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
572 C5H6 Cyclopropylacetylene 1A'C1
573 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
574 C5H8 1,2-Pentadiene 1A'C1
575 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
576 C5H8 1,3-Pentadiene, (E)- 1A'C1
577 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
578 C5H8 1,4-Pentadiene 1AC2
579 C5H8 2,3-Pentadiene 1AC1
580 C5H8 Cyclobutane, methylene- 1A'Cs
581 C5H8 Cyclopentene 1A'Cs
582 C5H10 1-Butene, 2-methyl- 1AC1
583 C5H10 2-Butene, 2-methyl- 1A'Cs
584 C5H10 2-Pentene, (E)- 1A'Cs
585 C5H10 2-Pentene, (Z)- 1AC1
586 C5H10 Cyclopentane 1AC1
587 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
588 CH2CHCH2CH2CH3 1-pentene 1AC1
589 C5H11 2-Methylbut-2-yl radical 1AC1
590 C5H12 Butane, 2-methyl- 1AC1
591 C5H12 Pentane 1A1C2v
592 C5H12 Propane, 2,2-dimethyl- 1A1Td
593 Si(CH3)4 tetramethylsilane 1A1Td
594 N2O3 Dinitrogen trioxide 1A'Cs
595 C3H2N2 Malononitrile 1A1Cs
596 C3H4N2 1H-Imidazole 1A'Cs
597 C3H4N2 1H-Pyrazole 1A'Cs
598 C4H5N (E)-2-Butenenitrile 1A'Cs
599 C4H5N (Z)-2-Butenenitrile 1A'Cs
600 C4H5N Cyclopropanecarbonitrile 1A'Cs
601 C4H5N Pyrrole 1A1C2v
602 C3H6N2 3-Aminopropionitrile 1A'Cs
603 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
604 C5H8 Spiropentane 1A1D2d
605 C4H9N Cyclobutylamine 1A'Cs
606 C4H9N Pyrrolidine 1A'Cs
607 C3H10N2 1,2-Diaminopropane 1AC1
608 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
609 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
610 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
611 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
612 C3O2 Carbon suboxide 1A1C2v
613 PO4--- phosphate 1A1Td
614 SO4-- sulfate 1A1Td
615 H2SO4 Sulfuric acid 1AC1
616 C3H3NO Isoxazole 1A'Cs
617 CH3NO3 Methyl nitrate 1A'Cs
618 C4H4O Furan 1A1C2
619 C4H4S Thiophene 1A1C2v
620 C3H4O2 β–Propiolactone 1A'Cs
621 C3H4O2 2-Propenoic acid 1A'Cs
622 C3H4O2 propanedial 1AC1
623 C3H4O2 propenalol 1A'Cs
624 CH2CHCONH2 Acrylamide 1ACs
625 CH3OCH2CN Methoxyacetonitrile 1AC1
626 H2NCH2COOH Glycine 1A'Cs
627 C4H6O cis-2-butenal 1ACs
628 C4H6O Cyclobutanone 1A1C2v
629 C4H6O Furan, 2,3-dihydro- 1AC1
630 C4H6O Furan, 2,5-dihydro- 1A1Cs
631 CH2CHOCHCH2 Vinyl ether 1A1C2v
632 CHOCHCHCH3 2-Butenal 1A'Cs
633 C2H6N2O Urea, methyl- 1AC1
634 C3H6O2 1,3-Dioxolane 1AC1
635 CH3COOCH3 methyl acetate 1A'Cs
636 C2H6O2S Dimethyl sulfone 1A1C2v
637 C3H7NO Propanamide 1A'C1
638 C2H3OC2H5 Ethene, ethoxy- 1AC1
639 C4H8O Cyclobutanol 1A'C1
640 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
641 CH3COCH2CH3 2-Butanone 1A'Cs
642 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
643 CHOCH2CH2CH3 Butanal 1A'Cs
644 C3H8O2 1,3-Propanediol 1A1C1
645 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
646 C3H8O2 Methane, dimethoxy- 1AC2
647 C3H8O2 Methane, dimethoxy- 1A1C2v
648 C3H8O2 Propylene glycol 1AC1
649 C4H10O 1-Propanol, 2-methyl- 1AC1
650 C4H10O 2-Butanol, (.+/-.)- 1AC1
651 C4H10O Ethanol, 1,1-dimethyl- 1AC1
652 C4H10O Ethoxy ethane 1A1C2v
653 C4H10O Propane, 2-methoxy- 1A'Cs
654 FNO3 Fluorine nitrate 1A'Cs
655 ClO4- perchlorate anion 1A1Td
656 BF4- tetrafluoroboron anion 1A1Td
657 ClFO3 Perchloryl fluoride 1A1Cs
658 SO2Cl2 Sulfuryl chloride 1A1C2v
659 F3NO Nitrogen trifluoride oxide 1A1C3v
660 F3PO Phosphoryl fluoride 1A1C3v
661 Cl3PO Phosphoryl chloride 1A1C3v
662 CF4 Carbon tetrafluoride 1A1Td
663 CF3Cl Methane, chlorotrifluoro- 1A1C3v
664 SiF4 Silicon tetrafluoride 1A1Td
665 CF2Cl2 difluorodichloromethane 1A1C2v
666 CFCl3 Trichloromonofluoromethane 1A1C3v
667 CCl4 Carbon tetrachloride 1A1Td
668 SiCl4 Silane, tetrachloro- 1A1Td
669 SF4 Sulfur tetrafluoride 1A1C2v
670 C2HF3 Trifluoroethylene 1A'Cs
671 CHClCCl2 Trichloroethylene 1A'Cs
672 HClO4 perchloric acid 1ACs
673 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
674 CH2ClCHCl2 1,1,2-trichloroethane 1AC1
675 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
676 SiH3CCl3 (trichloromethyl)silane 1A1C3v
677 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
678 C6H5 phenyl 2A1C2v
679 C6H6 2,4-Hexadiyne 1A1'D3h
680 C6H6 Benzene 1A1gD6h
681 C6H8 (E)-hexa-1,3,5-triene 1AgCs
682 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
683 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
684 C6H8 1,4-Cyclohexadiene 1AgC2v
685 C6H8 3-Methylenecyclopentene 1AC1
686 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
687 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
688 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
689 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
690 C6H10 2-Hexyne 1A'C1
691 C6H10 cyclohexene 1AC2
692 C6H10 Cyclopentene, 1-methyl- 1AC1
693 C6H10 Cyclopentene, 3-methyl- 1AC1
694 C6H10 Cyclopentene, 4-methyl- 1AC1
695 C6H12 (E)-3-methylpent-2-ene 1AC1
696 C6H12 (Z)-3-methylpent-2-ene 1AC1
697 C6H12 3-methylenepentane 1AC1
698 C6H12 Cyclohexane 1A1gChair
699 C6H12 Cyclopentane, methyl- 1AC1
700 C6H12 Ethylcyclobutane 1AC1
701 C6H14 Butane, 2,2-dimethyl- 1A'C1
702 C6H14 Butane, 2,3-dimethyl- 1AgC2h
703 C6H14 Hexane 1AgC2h
704 C4N2 2-Butynedinitrile 1ΣgD∞h
705 C3H3N3 1,3,5-Triazine 1A1'D3h
706 CH3N5 5-Aminotetrazole 1AC1
707 C4H4N2 1,3-Diazine 1A1C2v
708 C4H4N2 Pyrazine 1AgD2h
709 C4H4N2 Pyridazine 1A1C2v
710 C4H4N2 Succinonitrile 1AgC2h
711 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
712 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
713 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
714 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
715 C5H5N Pyridine 1A1C2v
716 C6H6 Fulvene 1A1C2v
717 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
718 C5H7N (E)-2-Pentenenitrile 1A'Cs
719 C5H7N (E)-3-Pentenenitrile 1AC1
720 C5H7N (Z)-2-Pentenenitrile 1AC1
721 C5H7N Cyclobutanecarbonitrile 1A'Cs
722 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
723 C5H9N Butanenitrile, 2-methyl- 1AC1
724 C5H9N Pentanenitrile 1A'Cs
725 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
726 C5H11N Cyclopentanamine 1A'Cs
727 C5H11N Piperidine 1A'NH axial
728 C4H12N2 1,2-Butanediamine 1AC1
729 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
730 C2H3NO3 Oxamic acid 1A'H out
731 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
732 C2H4N2O2 Oxalamide 1AgC2h
733 C4H5NO Isoxazole, 5-methyl- 1AC1
734 C4H6O2 2-Propenoic acid, methyl ester 1AC1
735 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
736 C2H6N2O2 Dimethylnitroamine 1AC1
737 C3H6O3 1,3,5-Trioxane 1A1C1
738 C4H7NO 2-Pyrrolidinone 1AC1
739 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
740 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
741 CH3CH(NH2)COOH Alanine 1AC1
742 CH3NHCH2COOH Sarcosine 1AC1
743 NH2CH2CH2COOH β–alanine 1AC1
744 NH2COOC2H5 Urethane 1AC1
745 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
746 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
747 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
748 NH2CONHC2H5 Urea, ethyl- 1AC1
749 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
750 C4H8O2 1,4-Dioxane 1AgC2h
751 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
752 C3H8O3 1,2,3-Propanetriol 1AC1
753 C4H9NO Butanamide 1AC1
754 C4H9NO Propanamide, 2-methyl- 1AC1
755 C5H10O 2-Butanone, 3-methyl- 1AC1
756 C5H10O 2H-Pyran, tetrahydro- 1A'C1
757 C5H10O 3-Pentanone 1A1C2v
758 C5H10O Cyclopentanol 1AC1
759 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
760 C5H10O Pentanal 1A'C1
761 C4H10O2 1,1-Dimethoxyethane 1A'Cs
762 C4H10O2 1,3-Butanediol 1AC1
763 C4H10O2 1,4-Butanediol 1AgC2h
764 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
765 C4H11NO Diethylhydroxylamine 1A'Cs
766 C5H12O 1-Butanol, 2-methyl- 1AC1
767 C5H12O 1-Butanol, 3-methyl- 1A'Cs
768 C5H12O 1-Pentanol 1A'Cs
769 C5H12O 2-Butanol, 3-methyl- 1AC1
770 C5H12O 3-Pentanol 1AC1
771 C5H12O Propane, 1-ethoxy- 1A'Cs
772 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
773 CF3CN Acetonitrile, trifluoro- 1A1C3v
774 B2F4 Diboron tetrafluoride 1AGD2h
775 B2Cl4 Diboron tetrachloride 1A1D2
776 C2F4 Tetrafluoroethylene 1AgD2h
777 C2Cl4 Tetrachloroethylene 1AgD2h
778 CF3OF Trifluoromethylhypofluorite 1A'Cs
779 SiF5- silicon pentafluoride anion   
780 SOF4 Sulfur tetrafluoride oxide 1A1C2v
781 PF5 Phosphorus pentafluoride 1A1'D3h
782 PCl5 Phosphorus pentachloride 1A1'C4v
783 ClF5 chlorinepentafluoride 1A1C4v
784 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
785 C6H5CH2 benzyl radical 2B1Cs
786 C6H5CH3 toluene 1A'Cs
787 C7H12 Norbornane 1A1C2v
788 C7H16 2-methylhexane 1AC1
789 C7H16 heptane 1A1C2v
790 C6H5NH2 aniline 1A'Cs
791 N2O5 Dinitrogen pentoxide 1A'Cs
792 C6H5OH phenol 1A'Cs
793 C6H10O cyclohexanone 1A'Cs
794 PF6- Hexafluorophosphate ion 1A1GOh
795 SF6 Sulfur Hexafluoride 1A1GOh
796 SF5Cl sulfur chloropentafluoride 1A1C4v
797 C6H5F Fluorobenzene 1A1C2v
798 C6H5CCH phenylacetylene 1A1C2v
799 C6H5CHCH2 Styrene 1A'Cs
800 C8H8 cubane 1A1GOh
801 C8H8 cyclooctatetraene 1A1D2d
802 C6H5CH2CH3 Ethylbenzene 1A'Cs
803 C6H5CN phenyl cyanide 1A1C2v
804 S8 Octasulfur 1A1D4d
805 C6H5CHO benzaldehyde 1A'Cs
806 C6H5OCH3 Anisole 1A'Cs
807 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
808 C2F6 hexafluoroethane 1A1gD3d
809 C2Cl6 hexachloroethane 1A1gD3d
810 C6H5NO2 Nitrobenzene 1A1C2v
811 C6H5COOH benzoic acid 1A'Cs
812 C10H8 naphthalene 1AgD2h
813 C10H16 adamantane 1A1Td
814 C12H10 biphenyl 1AD2

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 He- Helium atom anion he-  
5 He+ Helium atom cation he+  
6 HeH Helium hydride heh  
7 Li- Lithium atom anion li-  
8 Li+ Lithium atom cation li+  
9 Na- Sodium atom anion na-  
10 K Potassium atom k  
11 K- Potassium atom anion k-  
12 K+ Potassium atom cation k+  
13 Cu Copper atom cu  
14 Cu- Copper atom anion cu-  
15 Cu+ Copper atom cation cu+  
16 KH Potassium hydride kh  
17 KH+ Potassium hydrogen cation kh+  
18 CuH Copper monohydride cuh  
19 Be- Beryllium atom anion be-  
20 Be+ Beryllium atom cation be+  
21 Mg- Magnesium atom anion mg-  
22 Mg+ Magnesium atom cation mg+  
23 Ca Calcium atom ca  
24 Ca- Calcium atom anion ca-  
25 Ca+ Calcium atom cation ca+  
26 Zn Zinc atom zn  
27 Zn- Zinc atom anion zn-  
28 Zn+ Zinc atom cation zn+  
29 CaH Calcium monohydride cah  
30 CaH+ Calcium monohydride cation cah+  
31 TiH Titanium monohydride tih  
32 ZnH Zinc monohydride znh  
33 ZnH+ Zinc, protonated znh+  
34 BeH2+ Beryllium dihydride cation beh2+  
35 CaH2 Calcium Hydride cah2  
36 ZnH2 Zinc hydride znh2  
37 B- Boron atom anion b-  
38 B+ Boron atom cation b+  
39 Al- Aluminum atom anion al-  
40 Al+ Aluminum atom cation al+  
41 Sc Scandium atom sc  
42 Sc+ Scandium cation sc+  
43 Ga Gallium atom ga  
44 Ga- Gallium atom anion ga-  
45 Ga+ Gallium atom cation ga+  
46 AlH- aluminum monohydride anion alh-  
47 AlH+ aluminum monohydride cation alh+  
48 ScH Scandium monohydride sch  
49 ScH+ Scandium monohydride cation sch+  
50 GaH Gallium monohydride gah  
51 GaH+ Gallium monohydride cation gah+  
52 BH2- boron dihydride anion bh2-  
53 BH2+ Boron dihydride cation bh2+  
54 AlH2- aluminum dihydride anion alh2-  
55 AlH2+ aluminum dihydride cation alh2+  
56 BH3- boron trihydride anion bh3-  
57 AlH3- aluminum trihydride anion alh3-  
58 AlH3+ aluminum trihydride cation alh3+  
59 ScH3 Scandium trihydride sch3  
60 GaH3 Gallium trihydride gah3  
61 BH4 borohydride bh4  
62 C- Carbon atom anion c-  
63 C+ Carbon atom cation c+  
64 Si- Silicon atom anion si-  
65 Si+ Silicon atom cation si+  
66 Ti Titanium atom ti  
67 Ti- Titanium atom anion ti-  
68 Ti+ Titanium atom cation ti+  
69 Ge Germanium atom ge  
70 Ge- Germanium anion ge-  
71 Ge+ Germanium cation ge+  
72 Sn Tin atom sn  
73 Sn+ Tin cation sn+  
74 SiH- silicon monohydride anion sih-  
75 SiH+ silicon monohydride cation sih+  
76 GeH germylidene geh  
77 GeH+ Germaniun monohyrdide cation geh+  
78 SiH2- silicon dihydride anion sih2-  
79 SiH2+ silicon dihydride cation sih2+  
80 GeH2 germylene geh2  
81 GeH2- germylene anion geh2-  
82 SiH3- Silyl anion sih3-  
83 GeH3 Germyl radical geh3  
84 GeH3+ germyl cation geh3+  
85 CD4 methane-d4 cd4  
86 CH2D2 methane-d2 ch2d2  
87 CH3D methane-d ch3d  
88 CH4- Methane anion ch4-  
89 CHD3 methane-d3 chd3  
90 SiH2D2 silane-d2 sih2d2  
91 SiH4+ Silane cation sih4+  
92 GeH4 Germane geh4  
93 SnH4 Stannane snh4  
94 SiH5+ Silane, protonated sih5+  
95 N Nitrogen atom n  
96 N- Nitrogen atom anion n-  
97 N+ Nitrogen atom cation n+  
98 P- Phosphorus atom anion p-  
99 P+ Phosphorus atom cation p+  
100 V Vanadium atom v  
101 V+ Vanadium atom cation v+  
102 As Arsenic atomic as  
103 As- Arsenic anion as-  
104 As+ Arsenic cation as+  
105 Sb Antimony atom sb  
106 PH- phosphorus monohydride anion ph-  
107 PH+ phosphorus monohydride cation ph+  
108 AsH Arsenic monohydride ash  
109 AsH+ Arsenic monohydride cation ash+  
110 SbH Antimony monohydride sbh  
111 NH2+ Amino cation nh2+  
112 PH2- Phosphino anion ph2-  
113 PH2+ Phosphino cation ph2+  
114 AsH2 Arsenic dihydride ash2  
115 AsH2+ Arsenic dihydride cation ash2+  
116 NH3- Ammonia anion nh3-  
117 PH3+ Phosphine cation ph3+  
118 AsH3 Arsine ash3  
119 AsH3+ Arsine cation ash3+  
120 SbH3 Stibine sbh3  
121 AsH4+ Arsonium ash4+  
122 NH4 Ammonium radical nh4  
123 PH4 Phosphoranyl radical ph4  
124 O- Oxygen atom anion o-  
125 O+ Oxygen atom cation o+  
126 S- Sulfur atom anion s-  
127 S+ Sulfur atom cation s+  
128 Cr Chromium atom cr  
129 Se Selenium atom se  
130 Se- Selenium atom anion se-  
131 Se+ Selenium atom cation se+  
132 Te Tellurium atom te  
133 Te+ Tellurium atom cation te+  
134 CrH Chromium hydride crh  
135 CrH+ Chromium hydride cation crh+  
136 HSe Selenium monohydride hse  
137 HSe- selenium monohydride anion hse-  
138 HSe+ selenium monohydride cation hse+  
139 TeH Telluryl radical teh  
140 H2S- Hydrogen sulfide anion h2s-  
141 H2Se Hydrogen selenide h2se  
142 H2Se+ Hydrogen selenide cation h2se+  
143 H2Te Hydrogen Telluride h2te  
144 H3Se+ Hydrogen Selenide, protonated h3se+  
145 F- Fluorine atom anion f-  
146 F+ Fluorine atom cation f+  
147 Cl- Chlorine atom anion cl-  
148 Cl+ Chlorine atom cation cl+  
149 Mn Manganese atom mn  
150 Br Bromine atom br  
151 Br- Bromine atom anion br-  
152 Br+ Bromine atom cation br+  
153 I Iodine atom iodine  
154 I- Iodine atom anion iodine-  
155 I+ Iodine atom cation iodine+  
156 DCl Hydrochloric acid-d dcl  
157 HBr hydrogen bromide hbr  
158 HBr- hydrogen bromide anion hbr-  
159 HBr+ hydrogen bromide cation hbr+  
160 HI Hydrogen iodide hi  
161 HI+ Hydrogen iodide cation hi+  
162 H2Br+ protonated hydrogen bromide h2br+  
163 H2I+ Iodonium h2i+  
164 Ne- Neon atom anion ne-  
165 Ne+ Neon atom cation ne+  
166 Ar Argon atom ar  
167 Ar- Argon atom anion ar-  
168 Ar+ Argon atom cation ar+  
169 Fe Iron atom fe  
170 Kr Krypton atom kr  
171 Kr+ Krypton cation kr+  
172 Xe Xenon atom xe  
173 HeLi+ Helium Lithium cation heli+  
174 NeH neon hydrogen neh  
175 ArH+ Argon hydride cation arh+  
176 KrH+ Protonated Krypton krh+  
177 XeH+ Xenon, protonated xeh+  
178 H2Ar H2 Ar dimer h2ar  
179 Co Cobalt atom cobalt  
180 Ni Nickel atom ni  
181 LiK Lithium Potassium lik  
182 NaK Sodium Potassium nak  
183 NaK+ Sodium Potassium diatomic cation nak+  
184 K2 Potassium diatomic k2  
185 Cu2 Copper diatomic cu2  
186 LiBe Lithium Beryllium libe  
187 LiMg Lithium magnesium limg  
188 NaBe Sodium Beryllium nabe  
189 NaMg Sodium Magnesium namg  
190 Be2 Beryllium diatomic be2  
191 BeMg Beryllium Magnesium bemg  
192 Ca2 Calcium diatomic ca2  
193 LiB Lithium boride lib  
194 LiAl Lithium Aluminum lial  
195 NaAl Sodium aluminum naal  
196 BeB Beryllium monoboride beb  
197 B2+ Boron diatomic cation b2+  
198 Al2 Aluminum diatomic al2  
199 Al2- aluminum diatomic anion al2-  
200 Al2+ aluminum diatomic cation al2+  
201 BGa Boron Gallium bga  
202 AlGa Aluminum Gallium alga  
203 Ga2 Gallium diatomic ga2  
204 HBBH Diborane(2) hbbh  
205 LiBH4 Lithium borohydride libh4  
206 B2H4 Diborane(4) D2d b2h4  
207 HBHHBH Diborane(4) C2V hbhhbh  
208 B2H6+ Diborane cation b2h6  
209 Al2H6 dialane al2h6  
210 Ga2H6 digallane ga2h6  
211 LiC Lithium Carbide lic  
212 BeC Beryllium Carbide bec  
213 CaC Calcium monocarbide cac  
214 BC boron monocarbide bc  
215 BSi Boron silicide bsi  
216 C2+ carbon diatomic cation c2+  
217 SiC- silicon monocarbide anion sic-  
218 SiC+ silicon monocarbide cation sic+  
219 Si2- silcon diatomic anion si2-  
220 Si2+ silcon diatomic cation si2+  
221 GeC Germanium monocarbide gec  
222 SiGe Silicon Germanium sige  
223 Ge2 Germanium diatomic ge2  
224 ZnCH2 Zinc methylene znch2  
225 H2CC- vinylidene anion h2cc-  
226 HCCH- acetylene anion c2h2-  
227 Si2H2 disilyne si2h2  
228 CuCH3 monomethyl copper cuch3  
229 ZnCH3 Zinc monomethyl znch3  
230 CH2BH methyleneborane ch2bh  
231 C2H3- vinyl anion c2h3-  
232 CH2SiH2 silaethylene ch2sih2  
233 Si2H4 Disilene si2h4  
234 CH3BH2 methylborane ch3bh2  
235 C2H5- Ethyl anion c2h5-  
236 C2H5+ Ethyl cation c2h5+  
237 C2H6+ ethane cation c2h6+  
238 GeH3CH3 methyl germane geh3ch3  
239 C2H7+ Ethane, protonated c2h7+  
240 LiP Lithium monophosphide lip  
241 BeN Beryllium mononitride ben  
242 BeN+ Beryllium mononitride cation ben+  
243 MgN Magnesium Nitride mgn  
244 AlN- aluminum mononitride anion aln-  
245 AlN+ aluminum mononitride cation aln+  
246 BP Boron monophosphide bp  
247 AlP Aluminum monophosphide alp  
248 GaN Gallium mononitride gan  
249 GaP Gallium monophosphide gap  
250 GaAs Gallium arsenide gaas  
251 CP- carbon monophosphide anion cp-  
252 CP+ carbon monophosphide cation cp+  
253 SiN- silicon mononitride anion sin-  
254 SiN+ silicon mononitride cation sin+  
255 SiP- Silicon monophosphide anion sip-  
256 SiP+ Silicon monophosphide cation sip+  
257 TiN Titanium mononitride tin  
258 PN- phosphorus nitride anion pn-  
259 PN+ phosphorus nitride cation pn+  
260 P2- phosphorus diatomic anion p2-  
261 P2+ phosphorus diatomic cation p2+  
262 AsN Arsenic mononitride asn  
263 AsP Arsenic monophosphide asp  
264 SbN Antimony nitride sbn  
265 As2 Arsenic diatomic as2  
266 HCN- Hydrogen cyanide anion hcn-  
267 HNC+ hydrogen isocyanide cation hnc+  
268 HCP+ Phosphaethyne cation hcp+  
269 NNH+ Dinitrogen monohydride cation nnh+  
270 HPO+ Hydrogen phosphorus oxide cation hpo+  
271 LiNH2 lithium amide linh2  
272 HBNH Boranimine hbnh  
273 CNH2 Aminomethylidyne radical cnh2  
274 CNH2+ N-protonated hydrogen isocyanide cnh2+  
275 H2CN Dihydrogen cyanide radical h2cn  
276 H2CN+ hydrocyanonium cation h2cn+  
277 HCNH methyleneazane hcnh  
278 HCNH+ N-protonated HCN hcnh+  
279 H2NN Isodiazene h2nn  
280 N2H2 (Z)-Diazene n2h2z  
281 N2H2+ trans-diazene cation n2h2+  
282 CH2NH+ Methanimine cation ch2nh+  
283 CHNH2 aminomethylene chnh2  
284 CHNH2+ Aminocarbene cation chnh2+  
285 BH2NH2 Boranamine bh2nh2  
286 N2H4+ hydrazine cation n2h4+  
287 CH3NH2+ methyl amine cation ch3nh2+  
288 CH3PH2 Methyl phosphine ch3ph2  
289 SiH3NH2 Silane, amino sih3nh2  
290 N2H5+ protonated hydrazine n2h5+  
291 CH3NH3 methyl ammonium radical ch3nh3  
292 CH3PH3+ methyl phosphine, protonated ch3ph3+  
293 NH3NH3 Ammonia Dimer nh3nh3  
294 N2H7+ ammonia ammonium dimer n2h7+  
295 LiS+ Lithium sulfide cation lis+  
296 KO Potassium monoxide ko  
297 KO+ Potassium monoxide cation ko+  
298 NaS Sodium sulfide nas  
299 CuO Copper Monoxide cuo  
300 LiSe Lithium monoselenide lise  
301 CaO Calcium monoxide cao  
302 MgS- magnesium sulfide anion mgs-  
303 MgS+ magnesium sulfide cation mgs+  
304 ZnO zinc monoxide zno  
305 ZnS Zinc sulfide zns  
306 BeS- Beryllium monosulfide anion bes-  
307 BeS+ Beryllium monosulfide cation bes+  
308 AlO- Aluminum monoxide anion alo-  
309 AlO+ aluminum monoxide cation alo+  
310 BS- boron monosulfide anion bs-  
311 BS+ boron monosulfide cation bs+  
312 AlS- aluminum monosulfide anion als-  
313 AlS+ aluminum monosulfide cation als+  
314 ScO Scandium monoxide sco  
315 GaO Gallium monoxide gao  
316 GaS Gallium monosulfide gas  
317 CS- carbon monosulfide anion cs-  
318 CS+ carbon monosulfide cation cs+  
319 SiO- silicon monoxide anion sio-  
320 SiO+ silicon monoxide cation sio+  
321 SiS- silicon monosulfide anion sis-  
322 SiS+ silicon monosulfide cation sis+  
323 TiO Titanium monoxide tio  
324 CSe Carbon monoselenide cse  
325 CSe- Carbon monoselenide anion cse-  
326 CSe+ Carbon monoselenide cation cse+  
327 GeO+ Germanium monoxide cation geo+  
328 GeS Germanium monosulfide ges  
329 SiSe+ Silicon Monoselenide cation sise+  
330 GeSe Germanium monoselenide gese  
331 NS- nitrogen sulfide anion ns-  
332 NS+ nitrogen sulfide cation ns+  
333 PO- phosphorus monoxide anion po-  
334 PO+ phosphorus monoxide cation po+  
335 PS- phosphorus monosulfide anion ps-  
336 PS+ phosphorus monosulfide cation ps+  
337 VO Vanadium monoxide vo  
338 AsO Arsenic monoxide aso  
339 NSe Nitrogen monoselenide nse  
340 AsS Arsenic monosulfide ass  
341 PSe Phosphorus monoselenide pse  
342 AsSe Arsenic monoselenide asse  
343 O2-- dioxygen dianion o2--  
344 SO- sulfur monoxide anion so-  
345 S2- sulfur diatomic anion s2-  
346 SeO Selenium monoxide seo  
347 SeO- selenium monoxide anion seo-  
348 SeO+ selenium monoxide cation seo+  
349 SeS Selenium monosulfide ses  
350 SeS- selenium monosulfide anion ses-  
351 SeS+ selenium monosulfide cation ses+  
352 TeO Tellurium monoxide teo  
353 Se2- selenium diatomic anion se2-  
354 Se2+ selenium diatomic cation se2+  
355 Te2 Tellurium diatomic te2  
356 KOH Potassium hydroxide koh  
357 CaOH Calcium monohydroxide caoh  
358 COH Hydroxymethylidyne coh  
359 COH+ Carbon Monoxide, protonated coh+  
360 HCO- formyl anion hco-  
361 HCS- Thioformyl anion hcs-  
362 HCS+ Thioformyl cation hcs+  
363 NOH Hydroxyimidogen noh  
364 NOH+ O-protonated nitric oxide noh+  
365 HNS Sulfur imide hns  
366 HNS- Sulfur imide anion hns-  
367 HO2+ Hydroperoxy cation ho2+  
368 HS2 Thiosulfeno radical hs2  
369 H2CO- formaldehyde anion h2co-  
370 HOCH hydroxycarbene hoch  
371 H2CS- thioformaldehyde anion h2cs-  
372 H2CS+ thioformaldehyde cation h2cs+  
373 H2NO nitroxide h2no  
374 H2O2+ Hydrogen peroxide cation h2o2+  
375 H2OO water oxide h2oo  
376 HOSH hydrogen thioperoxide hosh  
377 H2Se2 hydrogen diselenide h2se2  
378 CH3O- methoxy anion ch3o-  
379 CH3O+ Methoxy cation ch3o+  
380 NH2OH+ Hydroxylamine cation nh2oh+  
381 NH3O Ammonia Oxide nh3o  
382 NH2SH Thiohydroxylamine nh2sh  
383 NH3S sulfidoazane nh3s  
384 H3O2+ hydrogen peroxide, protonated h3o2+  
385 CH3OH- Methyl alcohol anion ch3oh-  
386 CH3OH+ Methyl alcohol cation ch3oh+  
387 CH3SH+ Methanethiol cation ch3sh+  
388 SiH3OH silanol sih3oh  
389 CH3SeH Methane selenol ch3seh  
390 NH2OH2+ protonated hydroxylamine nh2oh2+  
391 NH3OH+ N-protonated hydroxylamine nh3oh+  
392 H2OH2O water dimer h2oh2o  
393 CH3OH2+ Methanol, protonated ch3oh2+  
394 H2ONH3 Water Ammonia Dimer h2onh3  
395 H5O2+ Dihydroxonium ion h5o2+  
396 KF Potassium Fluoride kf  
397 KCl Potassium Chloride kcl  
398 CuF Copper monofluoride cuf  
399 LiBr Lithium Bromide libr  
400 LiBr- lithium bromide anion libr-  
401 LiBr+ lithium bromide cation libr+  
402 CuCl Copper monochloride cucl  
403 NaBr Sodium Bromide nabr  
404 NaBr- sodium bromide anion nabr-  
405 NaBr+ sodium bromide cation nabr+  
406 KBr Potassium Bromide kbr  
407 LiI Lithium Iodide lii  
408 NaI Sodium Iodide nai  
409 KI Potassium Iodide ki  
410 CaF Calcium monofluoride caf  
411 CaCl calcium monochloride cacl  
412 TiCl Titanium Monochloride ticl  
413 ZnF Zinc monofluoride znf  
414 ZnF- Zinc monofluoride anion znf-  
415 ZnF+ Zinc monofluoride cation znf+  
416 ZnCl Zinc monochloride zncl  
417 CaBr Calcium monobromide cabr  
418 AlF- Aluminum monofluoride anion alf-  
419 AlF+ Aluminum monofluoride cation alf+  
420 ScF Scandium monofluoride scf  
421 BBr Boron monobromide bbr  
422 GaF Gallium monofluoride gaf  
423 GaF+ Gallium monofluoride cation gaf+  
424 AlBr Aluminum monobromide albr  
425 GaCl Gallium monochloride gacl  
426 GaCl+ Gallium monochloride cation gacl+  
427 AlI Aluminum monoiodide ali  
428 GaBr Gallium monobromide gabr  
429 SiF- silicon monofluoride anion sif-  
430 CBr Carbon monobromide cbr  
431 GeF Germanium monofluoride gef  
432 GeF+ Germanium monofluoride cation gef+  
433 GeCl Germanium monochloride gecl  
434 GeCl+ Germanium monochloride cation gecl+  
435 SiBr Silicon monobromide sibr  
436 SiBr+ Silicon monobromide cation sibr+  
437 PF- phosphorus monofluoride anion pf-  
438 PF+ phosphorus monofluoride cation pf+  
439 AsF Arsenic monofluoride asf  
440 NBr nitrogen monobromide nbr  
441 AsCl Arsenic monochloride ascl  
442 PBr Phosphorus monobromide pbr  
443 SbF Antimony monofluoride sbf  
444 SbCl Antimony monochloride sbcl  
445 ClO- chlorine monoxide anion clo-  
446 SF- sulfur monofluoride anion sf-  
447 BrO Bromine monoxide bro  
448 BrO- Bromine monoxide anion bro-  
449 BrO+ Bromine monoxide cation bro+  
450 SeF Selenium monofluoride sef  
451 SBr+ Sulfur monobromide cation sbr+  
452 SeCl Selenium monochloride secl  
453 IO Iodine monoxide io  
454 SeBr Selenium monobromide sebr  
455 BrCl Bromine monochloride brcl  
456 BrF Bromine monofluoride brf  
457 BrF- bromine fluoride anion brf-  
458 BrF+ bromine fluoride cation brf+  
459 BrCl- bromine chloride anion brcl-  
460 BrCl+ bromine chloride cation brcl+  
461 IF Iodine monofluoride if  
462 Br2 Bromine diatomic br2  
463 Br2- bromine diatomic anion br2-  
464 Br2+ bromine diatomic cation br2+  
465 ICl Iodine monochloride icl  
466 IBr Iodine monobromide ibr  
467 I2 Iodine diatomic i2  
468 I2+ Iodine diatomic cation i2+  
469 HCCl Chloromethylene hccl  
470 HSiF fluorosilylene hsif  
471 HSiCl Chlorosilylene hsicl  
472 HSiBr monobromosilylene hsibr  
473 CHBr bromomethylene chbr  
474 DOCl Hypochlorous acid-d docl  
475 HOCl+ hypochlorous acid cation hocl+  
476 HOBr Hypobromous acid hobr  
477 HOBr+ Hypobromous acid cation hobr+  
478 HOI Hypoiodous acid hoi  
479 F2H+ Fluorine, protonated f2h+  
480 FHF Hydrogen difluoride fhf  
481 FHF- Hydrogen difluoride anion fhf-  
482 ClFH+ Chlorine fluoride, F-protonated clfh+  
483 FClH+ Chlorine fluoride, Cl-protonated fclh+  
484 Cl2H+ Chlorine, protonated cl2h+  
485 CH2Br bromomethyl radical ch2br  
486 CH2F fluoromethyl radical ch2f  
487 CH2F+ fluoromethyl cation ch2f+  
488 CH2Cl+ chloromethyl cation ch2cl+  
489 NH2Cl chloramine nh2cl  
490 CH3F+ methyl fluoride cation ch3f+  
491 CD3F methylfluoride-d3 cd3f  
492 CD3Cl methyl chloride d3 cd3cl  
493 CH3Cl+ Methyl chloride cation ch3cl+  
494 CH3Br methyl bromide ch3br  
495 GeH3F monofluorogermane geh3f  
496 GeH3Cl monochlorogermane geh3cl  
497 SiH3Br bromosilane sih3br  
498 CH3I methyl iodide ch3i  
499 SiH3I Silyl Iodide sih3i  
500 NH3Cl+ protonated monochloroammonia nh3cl+  
501 CH3ClH+ methyl chloride, protonated ch3clh+  
502 NH4Cl Ammonium chloride nh4cl  
503 LiNe+ Lithium Neon cation line+  
504 Ne2 Neon diatomic ne2  
505 Ne2+ Neon diatomic cation ne2+  
506 Ar2 Argon diatomic ar2  
507 Ar2+ Argon diatomic cation ar2+  
508 Li3 Lithium trimer li3  
509 Li3+ Lithium trimer cation li3+  
510 SiC2 Silicon dicarbide sic2  
511 C3H3 cyclopropenyl radical cpr  
512 C3H3- Propargyl anion c3h3-  
513 C3H5 Allyl radical allyl  
514 C3H5+ Allyl cation allyl+  
515 CH3CHCH 1-propenyl radical ch3chch  
516 Zn(CH3)2 dimethyl zinc dmz  
517 C3H7+ cyclopropane, protonated c3h7+  
518 CH3CHCH3 Isopropyl radical isopropyl  
519 CH3CHCH3+ Isopropyl cation prop2yl+  
520 LiCN lithium cyanide licn  
521 NaCN Sodium Cyanide nacn  
522 KCN Potassium cyanide kcn  
523 CuCN Copper cyanide cucn  
524 ZnCN Zinc monocyanide zncn  
525 ZnNC Zinc isocyanide znnc  
526 AlCN Aluminum monocyanide alcn  
527 AlNC Aluminum isocyanide alnc  
528 CN2 3H-Diazirin-3-ylidene cn2  
529 CNN Diazocarbene cnn  
530 NCN Cyanoimidogen ncn  
531 N3+ azide cation n3+  
532 HCCN cyanomethylene hccn  
533 HCNN diazomethyl radical hcnn  
534 HN3+ Hydrazoic acid cation hn3+  
535 HNCNH diiminomethane hncnh  
536 CH2N2 diazirine ch2n2  
537 HNNNH+ 1,2-Triazadienium n2h3+  
538 NH2NN+ hydrazoic acid, protonated nh2nn+  
539 CH3CN- acetonitrile anion ch3cn-  
540 CHNCH2 2H-Azirine c157164  
541 CHNHCH 1H-Azirine chnhch  
542 H2CCNH Ethenimine ch2cnh  
543 H2CNCH methyleneaminomethylene ch2nch  
544 HCCNH2 Ethynamine hccnh2  
545 HCNCH2+ 2H-Azirine cation hcnch2+  
546 HNCNH2+ diiminomethane, protonated hncnh2+  
547 NCNH3+ Cyanamide, protonated ncnh3+  
548 NH2CNH+ cyanamide, cn protonated nh2cnh+  
549 NH3CN+ cyanamide, amine protonated nh3cn+  
550 CH2CHNH vinylazine ch2chnh  
551 CH3CHN methylmethaniminyl radical ch3chn  
552 CH2CHNH2 aminoethene aminoethene  
553 CH3CHNH ethanimine ethanimine  
554 NH2BHNH2 diaminoborane nh2bhnh2  
555 C2H5NH+ Protonated Aziridine c2h5nh+  
556 C2H6N+ aziridine, protonated c2h6n+  
557 NH2CH2NH2 diaminomethane nh2ch2nh2  
558 CH3PHCH3 dimethylphosphine ch3phch3  
559 NH2CH2NH3+ diaminoethane, protonated pdam  
560 (CH3)2NH2+ dimethylammonium cation dmam  
561 CH3CH2NH3+ ethylamine, protonated pea  
562 Na2O disodium monoxide na2o  
563 Na2S Sodium sulfide na2s  
564 LiO2 Lithium dioxide lio2  
565 NaO2 Sodium superoxide nao2  
566 CCO Dicarbon monoxide cco  
567 CNO- fulminate cno-  
568 BO2+ Boron dioxide cation bo2+  
569 N2O- Nitrous oxide anion n2o-  
570 PPO Phosphorus oxide phosphide ppo  
571 OCS+ Carbonyl sulfide cation cos+  
572 CS2- Carbon disulfide anion cs2-  
573 CS2+ Carbon disulfide cation cs2+  
574 TiO2 Titanium dioxide tio2  
575 GeO2 Germanium dioxide geo2  
576 OCSe Carbonyl selenide ocse  
577 SCSe Carbon sulfide selenide scse  
578 GeS2 Germanium disulfide ges2  
579 CSe2 Carbon diselenide cse2  
580 SCTe Carbon sulfide Telluride scte  
581 PO2- Phosphorus dioxide anion po2-  
582 PO2+ Phosphorus dioxide cation po2+  
583 AsO2 Aresenic dioxide aso2  
584 SO2- Sulfur dioxide anion so2-  
585 SO2+ Sulfur dioxide cation so2+  
586 S3- Sulfur trimer anion s3-  
587 SeO2 Selenium dioxide seo2  
588 SeO2+ Selenium dioxide cation seo2+  
589 TeO2 Tellurium Dioxide teo2  
590 CS2H+ Carbon disulfide, protonated cs2h+  
591 HNCS Isothiocyanic acid hncs  
592 HSCN thiocyanic acid hscn  
593 HNNO nitrosoazane hnno  
594 HNNO+ Nitrous oxide, N-protonated hnno+  
595 NNOH+ Nitrous Oxide, O-protonated nnoh+  
596 HCOO formate neutral radical hcoo  
597 O3H+ protonated ozone o3h+  
598 SO2H+ protonated sulfur dioxide so2h+  
599 C2H2O Oxirene oxirene  
600 Be(OH)2 Beryllium hydroxide beo2h2  
601 Mg(OH)2 Magnesium dihydroxide h2mgo2  
602 NH2NO Nitrosamide nh2no  
603 H2COO Dioxymethyl radical h2coo  
604 H2COO+ dioxymethyl cation h2coo+  
605 H2O3 Hydrogen trioxide h2o3  
606 NaOCH3 Sodium methoxide naoch3  
607 CH2BOH hydroxy(methylene)borane ch2boh  
608 BH3CO Borane carbonyl bh3co  
609 CH3BO Borane, methyloxo- ch3bo  
610 CH2CHO Vinyloxy radical ch2cho  
611 CH2COH+ ketene, protonated ch2coh+  
612 CH3CO- Acetyl anion ch3co-  
613 CH3CO+ acetyl cation ch3co+  
614 CH2NOH formaldoxime ch2noh  
615 CH3NO nitrosomethane ch3no  
616 CNOH3 1,2-oxaziridine cnoh3  
617 HOCHNH hydroxymethylimine hochnh  
618 CHSNH2 thioformamide chsnh2  
619 NHCHSH Methanimidothioic acid nhchsh  
620 CH2OOH CH2OOH radical ch2ooh  
621 CH3OO- methylperoxy anion ch3oo-  
622 CH3OO+ methylperoxy cation ch3oo+  
623 C2H4O+ ethylene oxide cation c2h4o+  
624 CH3CHO+ acetaldehyde cation ch3cho+  
625 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
626 CH2CHSH Ethenethiol ch2chsh  
627 H2CONH2+ protonated formamide h2conh2+  
628 NH2CHOH+ Formamide, O-protonated nh2choh+  
629 NH3CHO+ Formamide, N-Protonated nh3cho+  
630 CH2(OH)2 methanediol ch2o2h2  
631 HSCH2SH Methanedithiol ch4s2  
632 H2OH2CO water formaldehyde dimer h2oh2co  
633 C2H4OH+ ethylene oxide, protonated c2h4oh+  
634 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
635 CH3CH2O Ethoxy radical ethoxy  
636 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
637 CH3CHOH+ acetaldehyde, protonated ch3choh+  
638 CH3OCH2 methoxymethyl radical ch3och2  
639 NH2CH2OH aminomethanol nh2ch2oh  
640 CH3SCH3+ dimethyl sulfide cation mesme+  
641 CH3SeCH3 dimethylselenide dmse  
642 CH3OHH2O methanol water dimer ch3ohh2o  
643 H2OCH3OH water methanol dimer h2och3oh  
644 CuF2 Copper difluoride cuf2  
645 ZnF2 Zinc difluoride znf2  
646 CNF iso cyanogen fluoride cnf  
647 BrCN Cyanogen bromide brcn  
648 ICN Cyanogen iodide icn  
649 FBO Boron monofluoride monoxide fbo  
650 BeF2 Beryllium fluoride bef2  
651 MgF2 Magnesium fluoride mgf2  
652 BeCl2 Beryllium chloride becl2  
653 CaCl2 Calcium Chloride cacl2  
654 ZnCl2 Zinc dichloride zncl2  
655 BeBr2 Beryllium bromide bebr2  
656 CaBr2 Calcium dibromide cabr2  
657 CaF2 Calcium difluoride caf2  
658 FCO Carbonyl fluoride fco  
659 FCO+ Carbonyl fluoride cation fco+  
660 ClCO carbonyl monochloride clco  
661 BF2 Boron difluoride radical bf2  
662 BrNO Nitrosyl bromide brno  
663 INO Nitrosyl iodide ino  
664 CFCl chlorofluoromethylene cfcl  
665 SiF2 Silicon difluoride sif2  
666 SiF2+ Silicon difluoride cation sif2+  
667 CCl2- dichloromethylene anion ccl2-  
668 CCl2+ dichloromethylene cation ccl2+  
669 GeF2 Germanium difluoride gef2  
670 CBr2 dibromomethylene cbr2  
671 FOO+ Fluorine dioxide cation foo+  
672 ClOO+ chloroperoxy cation cloo+  
673 OClO- Chlorine dioxide anion oclo-  
674 OClO+ Chlorine dioxide cation oclo+  
675 BrOO Bromine dioxide broo  
676 OBrO Bromine dioxide radical obro  
677 PF2 Phosphorus difluoride pf2  
678 PF2+ Phosphorus difluoride cation pf2+  
679 SF2- sulfur difluoride anion sf2-  
680 SF2+ sulfur difluoride cation sf2+  
681 SeF2 Selenium difluoride sef2  
682 BrOCl Bromine hypochlorite brocl  
683 BrOBr Bromine oxide brobr  
684 F3- trifluoride anion f3-  
685 Cl3- trichloride anion cl3-  
686 Br3- tribromide anion br3-  
687 I3- triiodide i3-  
688 SFCl Sulfur chloride fluoride sfcl  
689 HCCF+ fluoroacetylene cation hccf+  
690 HCCCl Chloroacetylene hcccl  
691 HCCBr bromoacetylene hccbr  
692 HFCO+ formyl fluoride cation hfco+  
693 COHCl Formyl chloride cohcl  
694 COHBr Formyl bromide cohbr  
695 CHCl2 dichloromethyl radical chcl2  
696 CHF2 difluoromethyl radical chf2  
697 CHF2+ difluoromethyl cation chf2+  
698 CHFCl Chlorofluoromethyl radical chfcl  
699 CHFCl+ Chlorofluoromethyl cation chfcl+  
700 CHCl2+ dichloromethyl cation chcl2+  
701 CHBr2 dibromomethyl radical chbr2  
702 HOClO Chlorous acid hoclo  
703 NHF2 difluoramine nhf2  
704 NHCl2 dichloroamine nhcl2  
705 SiH2F2 difluorosilane sih2f2  
706 CH2BrF Methane, bromofluoro- ch2fbr  
707 CH2BrCl Methane, bromochloro- ch2clbr  
708 CH2FI fluoroiodomethane ch2fi  
709 CH2Br2 dibromomethane ch2br2  
710 CH2ClI chloroiodomethane ch2cli  
711 CH2BrI bromoiodomethane ch2bri  
712 CH2I2 Diiodomethane ch2i2  
713 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
714 CH2CHF+ fluoroethene cation ch2chf+  
715 C2H3Br vinyl bromide c2h3br  
716 C2H3I Vinyl iodide c2h3i  
717 CH2FOH fluoromethanol ch2foh  
718 CH3OCl methyl hypochlorite ch3ocl  
719 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
720 CHClCH3 1-chloroethyl radical chclch3  
721 CH3CH2Cl Ethyl chloride c2h5cl  
722 CH3SiFH2 fluoromethylsilane ch3sifh2  
723 C2H5Br Ethyl bromide etbr  
724 C2H5I Ethyl iodide c2h5i  
725 KrF2 Krypton difluoride krf2  
726 XeF2 Xenon difluoride xef2  
727 B4H10 Tetraborane(10) b4h10  
728 C4H2+ diacetlyene cation c4h2+  
729 C4H4 cyclobutadiene cbd  
730 C4H4 Tetrahedrane c4h4  
731 CHCCH2CH3 1-Butyne c107006  
732 CH3CHCHCH2 methylallyl radical c4h7  
733 C4H8 methylcyclopropane mcp  
734 B(CH3)3 trimethylborane bme3  
735 Al(CH3)3 trimethyl aluminum tma  
736 Li3N trilithium nitride li3n  
737 As4 Arsenic tetramer as4  
738 H2CNCN cyanamide, methylene ch2ncn  
739 HNCCNH Ethenediimine hnccnh  
740 C3H3N+ acrylonitrile cation ch2chcn+  
741 CH3N3 methyl azide ch3n3  
742 NH2CCNH2 Diaminoacetylene daa  
743 NH2CH2CN Aminoacetonitrile aan  
744 CH3NHN2+ methyl azide, protonated ch3nhn2+  
745 C2H5CN ethyl cyanide c2h5cn  
746 CH5N3 Guanidine guanidine  
747 C4H6 Bicyclo[1.1.0]butane c157335  
748 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
749 H2NCHCHNH2 diaminoethylene dae  
750 CH6N3+ guanidinium ch6n3+  
751 CH7N3 triaminomethane tam  
752 C3H7N Azetidine azet  
753 NH2CH2CH2CH3 1-Propanamine pram1  
754 P(CH3)3 trimethylphosphine tmp  
755 N(SiH3)3 trisilylamine tsa  
756 As(CH3)3 trimethyl arsine tmas  
757 (CH3)3NH+ protonated trimethyl amine ptma  
758 C3H7NH3+ n-propylamine, protonated c3h7nh2  
759 Li2O2 dilithium dioxide li2o2  
760 Na2O2 disodium dioxide na2o2  
761 K2O2 dipotassium dioxide k2o2  
762 C3O Tricarbon monoxide c3o  
763 CO3 Carbon trioxide co3  
764 NO3- nitrate anion no3-  
765 SO3- Sulfur trioxide anion so3-  
766 SO3-- Sulfate dianion so3--  
767 SO3+ Sulfur trioxide cation so3+  
768 SeO3 selenium trioxide seo3  
769 TeO3 Tellurium trioxide teo3  
770 HCO3- bicarbonate anion hco3-  
771 HSO3 Hydroxysulfonyl radical hso3  
772 NH2NO2 nitramide nh2no2  
773 C2H2CO cyclopropenone c2h2co  
774 C3H2O Propadienal c3h2o  
775 HCCCHO 2-propynal hcccho  
776 C2H2O2+ Ethanedial cation c2h2o2+  
777 H2CO3 Carbonic acid h2co3  
778 H2CS3 thiocarbonic acid h2cs3  
779 H2NO3+ Nitric Acid, Protonated h2no3+  
780 H2SO3 Sulfurous acid h2so3  
781 C2H3NO Nitrosoethylene c2h3no  
782 CH3NCO methylisocyante ch3nco  
783 HOCH2CN cyanomethanol hoch2cn  
784 CH3NO2 Methane, nitro- ch3no2  
785 NH2COOH Carbamic acid nh2cooh  
786 H3CO3+ carbonic acid, protonated h3co3+  
787 C3H4O 2-Propyn-1-ol c107197  
788 C3H4O Methylketene c6004440  
789 NH2CONH2+ Urea cation urea+  
790 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
791 NH3COOH+ protonated Carbamic acid nh3cooh+  
792 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
793 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
794 HCOOHH2O Formic acid water dimer hcoohh2o  
795 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
796 CH3COCH2 Acetonyl radical ch3coch2  
797 CH2C(OH)NH2 1-amino vinyl alchohol ava  
798 CH3C(OH)=NH Ethaninidic acid eia  
799 HCONHCH3 N-methylformamide nmfa  
800 CH5N2O+ urea, N-protonated ch4n2o+  
801 H2NCOHNH2+ urea, protonated ureah+  
802 C2H5OO ethylperoxy radical c2h5oo  
803 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
804 C3H5OH Cyclopropanol cproh  
805 C3H6O 2-Propen-1-ol c107186  
806 C3H6O Acetone enol enol  
807 C3H6O Oxetane oxetane  
808 CH3COCH3- acetone anion ch3coch3-  
809 C3H6S Thiirane, methyl- methiirane  
810 CH3CSCH3 Thioacetone ch3csch3  
811 CH3SOCH3 Dimethyl sulfoxide dmso  
812 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
813 CH3COHCH3+ acetone, protonated acetoneh+  
814 HOCH2CH2NH2 monoethanolamine mea  
815 C3H7SH 1-Propanethiol prsh  
816 CH3CHSHCH3 2-Propanethiol isoprsh  
817 CH3SCH2CH3 Ethane, (methylthio)- etsme  
818 H2OCH3OCH3 water dimethylether dimer h2och3och3  
819 Li2F2 Lithium fluoride dimer li2f2  
820 Na2F2 Sodium Fluoride Dimer na2f2  
821 Na2Cl2 Disodium dichloride na2cl2  
822 C2Cl2+ dichloroacetylene cation c2cl2+  
823 FNO2 Nitryl fluoride fno2  
824 FONO Nitrosyl hypofluorite fono  
825 ClONO chlorine nitrite clono  
826 BrONO Bromine nitrite brono  
827 CF2O+ Carbonic difluoride cation f2co+  
828 COFCl Carbonic chloride fluoride cofcl  
829 COBr2 Carbonic dibromide cobr2  
830 BClF2 Chlorodifluoroborane bclf2  
831 ScF3 Scandium trifluoride ScF3  
832 BCl3+ Boron Trichloride cation bcl3+  
833 GaF3 Gallium trifluoride gaf3  
834 GaCl3 Gallium trichloride gacl3  
835 BBr3 Boron tribromide bbr3  
836 AlBr3 Aluminum Bromide albr3  
837 ClO3 Chlorine trioxide clo3  
838 BrO3- Bromate anion bro3-  
839 CF2Cl difluorochloromethyl radical cf2cl  
840 SiF3+ Silicon trifluoride cation sif3+  
841 CFCl2 dichlorofluoromethyl radical cfcl2  
842 CCl3- Trichloromethyl anion ccl3-  
843 CCl3+ Trichloromethyl cation ccl3+  
844 CBr3 tribromomethyl radical cbr3  
845 FOOF Perfluoroperoxide foof  
846 ClOOCl Dichlorine dioxide cloocl  
847 SeOCl2 selenium oxychloride seocl2  
848 AsF3 Arsenic trifluoride asf3  
849 SbF3 Antimony Trifluoride sbf3  
850 AsCl3 Arsenous trichloride ascl3  
851 SbCl3 Antimony Trichloride sbcl3  
852 NBr3 Nitrogen Tribromide nbr3  
853 PBr3 Phosphorus tribromide pbr3  
854 AsBr3 Arsenic tribromide asbr3  
855 NI3 Nitrogen triiodide ni3  
856 PI3 Phosphorus triiodide pi3  
857 BrF3 Bromine trifluoride brf3  
858 IF3 iodone trifluoride if3  
859 SiHF3 trifluorosilane sihf3  
860 CDCl3 trichloromethane-d cdcl3  
861 CHBrF2 Methane, bromodifluoro- chbrf2  
862 CHFClBr fluorochlorobromomethane chfclbr  
863 CHBrCl2 Methane, bromodichloro- chbrcl2  
864 CHF2I difluoroiodomethane chf2i  
865 CHBr2F dibromofluoromethane chbr2f  
866 CHFClI fluorochloroiodomethane chfcli  
867 CHCl2I dichloroiodomethane chcl2i  
868 CHClBr2 Methane, dibromochloro- chclbr2  
869 CHBr3 bromoform chbr3  
870 CHI3 Iodoform chi3  
871 NF3H+ protonated nitrogen trifluoride nf3h+  
872 AsF3H+ Arsenic trifluoride, protonated asf3h+  
873 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
874 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
875 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
876 C2H2Br2 1,1-dibromoethene c2h2br2  
877 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
878 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
879 CH2FCHO Fluoroacetaldehyde ch2fcho  
880 CH2ClCHO chloroacetaldehyde ch2clcho  
881 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
882 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
883 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
884 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
885 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
886 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
887 CH2CFCH3 2-fluoropropene 2fpro  
888 CH2CHCH2F Allyl Fluoride allylf  
889 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
890 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
891 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
892 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
893 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
894 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
895 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
896 CH2FCH2CH3 1-Fluoropropane prf1  
897 CH3CHFCH3 2-Fluoropropane prf2  
898 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
899 CH3CHClCH3 Propane, 2-chloro- prcl2  
900 CH3CH2CH2Br n-propyl bromide prbr  
901 CH3CHBrCH3 i-propyl bromide iprbr  
902 C3H9O+ trimethyl oxonium cation c3h9o+  
903 B5H9 pentaborane9 b5h9  
904 C5H4 pentatetraene ptrene  
905 C5H5 cyclopentadienyl radical c5h5  
906 C5H6 Propellane propellane  
907 C5H7 1,3-pentadienyl radical pdyl  
908 C5H7 cyclopentenyl radical cpyl  
909 C5H8 1-pentyne a1pentyne  
910 C5H8 Bicyclo[1.1.1]pentane bcp  
911 C5H8 Ethenylcyclopropane c693867  
912 CH3CCCH2CH3 2-Pentyne 2pentyne  
913 CH2N4 1H-Tetrazole 1htz  
914 C3H3N2 imidazolyl radical im  
915 C3H3N2- imidizolyl anion im-  
916 C2H3N3 1H-1,2,4-Triazole c288880  
917 C4H4N pyrrolide radical c4h4n  
918 C4H4N- pyrrolide anion c4h4n-  
919 C3H4N2 2H-Imidazole imid2h  
920 C3H4N2 4H-Imidazole imid4h  
921 C4H5N 2H-pyrrole pyrrole2  
922 C4H5N 3H-pyrrole pyrrole3  
923 CH2CHCH2CN Allylcyanide ch2chch2cn  
924 C4H6N+ pyrrole, alpha-protonated appyr  
925 C4H6N+ pyrrole, beta-protonated bppyr  
926 C4H6N+ pyrrole, protonated ppyr  
927 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
928 CH3CH2CH2CN Butanenitrile c109740  
929 NH(C2H5)2 diethylamine dea  
930 NC4H12+ tetramethyl ammonium cation nc4h12+  
931 B2O3 diboron trioxide b2o3  
932 MgCO3 Magnesium Carbonate mgco3  
933 BeCO3 Beryllium Carbonate beco3  
934 CaCO3 Calcium Carbonate caco3  
935 ONONO Nitrosyl nitrite onono  
936 HOONO2 peroxy nitric acid hoono2  
937 HSO4- bisulfate anion hso4-  
938 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
939 C3H2O2 Propiolic acid c3h2o2  
940 CHOCOOH oxo acetic acid oaa  
941 CHOOCHO diformyl ether choocho  
942 H2SeO4 Selenic acid h2seo4  
943 C3H3NO Oxazole oxazole  
944 C3H3NS Thiazole thiazole  
945 CH3C(O)OO acetyl peroxy radical ch3coo2  
946 H3PO4 Phosphoric Acid h3po4  
947 C4H4O+ Furan cation furan+  
948 CH3COCCH 3-butyn-2-one c1423605  
949 C4H4Se selenophene c4h4se  
950 C3H4O2 Methyl glyoxal megly  
951 HOCHCCHOH allenediol aldiol  
952 C2H4O3 1,2,3-trioxolane c2h4o3  
953 C2H4O3 trioxolane124 triox  
954 HOCH2COOH Hydroxyacetic acid hac  
955 CH5N3S Hydrazinecarbothioamide c79196  
956 CH3SO2NH2 methanesulfonamide ch3so2nh2  
957 C4H6S Thiophene, 2,3-dihydro- thiop23h  
958 C4H6S Thiophene, 2,5-dihydro- thiop25h  
959 CH2CHSCHCH2 Divinyl sulfide divis  
960 CH3CH2COOH Propanoic Acid propanoic  
961 HCOOC2H5 Ethyl formate faee  
962 CH3SSSCH3 dimethyl trisulfide c2h6s3  
963 C4H8O Furan, tetrahydro- thf  
964 C4H8S Thiophene, tetrahydro- tht  
965 C3H8S2 1,3-Propanedithiol c109808  
966 C4H10O 1-Butanol butanol1  
967 C4H10O Methyl propyl ether meopr  
968 C4H10O+ 1-Butanol cation butanol1+  
969 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
970 C2H5SC2H5 Diethyl sulfide etset  
971 C4H9SH 1-Butanethiol bush  
972 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
973 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
974 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
975 ClONO2 Chlorine nitrate clono2  
976 BrONO2 Bromine nitrate brono2  
977 TiCl4 Titanium tetrachloride ticl4  
978 SO2F2 Sulfuryl fluoride so2f2  
979 TiF4 Titanium tetrafluoride tif4  
980 CF3Br Bromotrifluoromethane cf3br  
981 GeF4 Germanium tetrafluoride gef4  
982 CCl4+ Carbon tetrachloride cation ccl4+  
983 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
984 CBrCl2F bromodichlorofluoromethane cbrcl2f  
985 CF3I trifluoroiodomethane cf3i  
986 CBrCl3 Methane, bromotrichloro- cbrcl3  
987 CBr2F2 Methane, dibromodifluoro- cbr2f2  
988 GeCl4 Germanium Tetrachloride gecl4  
989 CBr2ClF dibromochlorofluoromethane cbr2clf  
990 CBr2Cl2 dibromodichloromethane cbr2cl2  
991 CCl3I trichloroiodomethane ccl3i  
992 CFBr3 fluorotribromomethane cfbr3  
993 CFClBrI fluorochlorobromoiodomethane cfclbri  
994 CBr3Cl tribromochloromethane cbr3cl  
995 CF2I2 difluorodiiodomethane cf2i2  
996 CBr4 Carbon tetrabromide cbr4  
997 CCl2I2 dichlorodiiodomethane ccl2i2  
998 SiBr4 Silicon tetrabromide sibr4  
999 CBr3I tribromoiododmethane cbr3i  
1000 GeBr4 Germanium tetrabromide gebr4  
1001 CI4 tetraiodomethane ci4  
1002 SiI4 silicon tetraiodide sii4  
1003 ClOF3 Chlorine trifluoride oxide clof3  
1004 SeF4 Selenium tetrafluoride sef4  
1005 SCl4 Sulfur tetrachloride scl4  
1006 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1007 HSO3F Fluorosulfonic acid hso3f  
1008 CF3OH trifluoromethanol cf3oh  
1009 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1010 CHClCCHCl 1,3-dichloroallene chclcchcl  
1011 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1012 CHCl2CHO dichloroacetaldehyde chcl2cho  
1013 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1014 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1015 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1016 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1017 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1018 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1019 NH3BCl3 Amminetrichloroboron nh3bcl3  
1020 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1021 C3H5ClO Oxirane, (chloromethyl)- c106898  
1022 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1023 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1024 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1025 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1026 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1027 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1028 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1029 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1030 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1031 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1032 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1033 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1034 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1035 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1036 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1037 C4H9F 1-fluorobutane butaf1  
1038 CH3CHFCH2CH3 2-fluorobutane butaf2  
1039 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1040 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1041 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1042 XeF4 Xenon tetrafluoride xef4  
1043 C2H2N2O Furazan furazan  
1044 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1045 NH3BF3 Amminetrifluoroboron nh3bf3  
1046 C6H2 hexatriyne c6h2  
1047 C6H5- phenyl anion phenyl-  
1048 C6H6 Prismane prismane  
1049 C6H6 1,2,4,5-Hexatetraene ht1245  
1050 C6H6 3,4-Dimethylenecyclobutene cb34m  
1051 C6H6 Benzvalene bv  
1052 C6H6 Dewar Benzene dewar  
1053 C6H6 Hexa-1,5-diene-3-yne hdy153  
1054 C6H6 Trimethylenecycopropane tmcp  
1055 C6H6+ Benzene cation c6h6+  
1056 C6H7+ benzene, protonated c6h7+  
1057 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1058 C6H10 1,5-Hexadiene c592427  
1059 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1060 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1061 C6H12 (E)-2-Hexene e2hexene  
1062 C6H12 (E)-hex-3-ene e3hexene  
1063 C6H12 (Z)-hex-2-ene z2hexene  
1064 C6H12 (Z)-hex-3-ene z3hexene  
1065 C6H12 2,3-dimethylbut-1-ene c563780  
1066 C6H12 2,3-dimethyl-but-2-ene tmeet  
1067 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1068 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1069 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1070 C4H2N2 Fumaronitrile c4h2n2  
1071 C5H5N E-2,4-pentadienenitrile bdcn  
1072 C5H6N+ Pyridinium c5h6n  
1073 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1074 C6H10 Bicyclo[3.1.0]hexane c285585  
1075 Li2CO3 Lithium Carbonate li2co3  
1076 Na2CO3 Sodium Carbonate na2co3  
1077 MgSO4 Magnesium Sulfate mgso4  
1078 C3H2O3 vinylene carbonate vica  
1079 C2H2O4 Oxalic Acid oxalic  
1080 C4H4O2 2(5H)-Furanone furanone  
1081 C2H4N2S2 Ethanedithioamide c79403  
1082 C2H4CO3 Ethylene carbonate etco3  
1083 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1084 C3H4S3 1,3-Dithiolane-2-thione c822388  
1085 C2H4O4 Formic acid dimer fadimer  
1086 C4H5NS 4-Methylthiazole c693958  
1087 C2H5NO3 Nitric acid, ethyl ester c625581  
1088 C5H6O 2H-Pyran pyran2  
1089 C5H6O 2-methylfuran furan2m  
1090 C5H6O 3-Methylfuran furan3m  
1091 C5H6O Pentadienal pdal  
1092 C5H6S Thiophene, 2-methyl- c554143  
1093 C5H6S Thiophene, 3-methyl- c616444  
1094 C4H6O2 Crotonic Acid crot  
1095 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1096 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1097 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1098 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1099 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1100 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1101 C4H6OS Vinyl sulfoxide c1115157  
1102 CH6N4S Carbonothioic dihydrazide thiacarb  
1103 C3H6S3 1,3,5-Trithiane c3h6s3  
1104 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1105 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1106 C4H7NO Ethoxyacetonitrile etoaccn  
1107 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1108 C3H7ONO Propyl nitrite prono  
1109 C5H8O Cyclopentanone c120923  
1110 C5H8O Methyl cyclopropyl ketone c765435  
1111 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1112 C4H8O2 Ethyl acetate c141786  
1113 C4H8OS s-Ethyl thioacetate c625605  
1114 C3H8O2S (Methylsulfonyl)ethane c594434  
1115 C5H10O 2-methylbutyraldehyde 2meba  
1116 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1117 C5H10S 3-Ethylthio-1-propene c5296628  
1118 C5H10S Cyclopentanethiol c1679078  
1119 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1120 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1121 C4H10OS Diethyl sulfoxide c70291  
1122 C4H10S2 1,4-Butanedithiol budisl14  
1123 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1124 C5H12S 1-Butanethiol, 3-methyl- c541311  
1125 C5H12S 1-Pentanethiol c110667  
1126 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1127 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1128 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1129 C5H12S Butane, 1-(methylthio)- c628295  
1130 C5H12S Ethyl propyl sulfide c4110503  
1131 C5H12S Propane, 2-(ethylthio)- c5145993  
1132 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1133 C4F2 difluorobutadiyne c4f2  
1134 ClCOClCO Oxalyl chloride oxcl  
1135 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1136 C2F4+ Tetrafluoroethylene cation c2f4+  
1137 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1138 CF2CCl2 difluorodichloroethylene cf2ccl2  
1139 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1140 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1141 C2FCl3 fluorotrichloroethene c2fcl3  
1142 C2Br4 tetrabromoethene c2br4  
1143 AsF5 Arsenic pentafluoride asf5  
1144 SF5 Sulfur pentafluoride sf5  
1145 SF5+ pentafluoro sulfur cation sf5+  
1146 SbCl5 Antimony pentachloride sbcl5  
1147 BrF5 bromine pentafluoride brf5  
1148 IF5 pentafluoroiodine if5  
1149 CF3CHO trifluoroacetaldehyde cf3cho  
1150 CCl3CHO trichloroacetaldehyde ccl3cho  
1151 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1152 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1153 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1154 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1155 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1156 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1157 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1158 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1159 CF3COOH trifluoroacetic acid cf3cooh  
1160 C4H3ClO Furan, 2-chloro fur2cl  
1161 C4H3ClO Furan,3-chloro fur3cl  
1162 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1163 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1164 C4H8Cl2 1,4-Dichlorobutane c110565  
1165 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1166 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1167 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1168 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1169 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1170 C5H11Cl Pentane, 1-chloro- pencl1  
1171 C4H8O2 Butanoic acid bua  
1172 C7H7 cycloheptatrienyl radical c7h7  
1173 C7H7+ cycloheptatrienyl cation c7h7+  
1174 C7H8 cycloheptatriene cht  
1175 C7H8 Norbornadiene norbor  
1176 C7H8 Quadricyclane qucy  
1177 C7H14 cycloheptane c7h14  
1178 CH(CN)3 tricyanomethane mecn3  
1179 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1180 C6H7N 2-Methylpyridine mp  
1181 C6H13N 2-Methylpiperidine pip2m  
1182 C6H13N cyclohexanamine cham  
1183 C6H15N triethylamine tea  
1184 C4H2O3 Maleic Anhydride malan  
1185 C6H5O phenoxy radical phenoxy  
1186 C5H5NO 2(1H)-Pyridinone c72762006  
1187 C5H5NO 2(3H)-Pyridinone c9000048  
1188 C5H5NO 2(5H)-Pyridinone c9000037  
1189 C5H5NO 2-Pyridinol c109104  
1190 C5H5NO 3(2H)-Pyridinone c9000004  
1191 C5H5NO 3(4H)-Pyridinone c9000026  
1192 C5H5NO 3(6H)-Pyridinone c9000015  
1193 C5H5NO 3-Pyridinol c109002  
1194 C5H5NO 4(1H)-Pryidinone c9000060  
1195 C5H5NO 4(3H)-Pryidinone c9000059  
1196 C5H5NO 4-Pyridinol c626642  
1197 C6H6O 2,4-Cyclohexadienone c24599573  
1198 C6H6O 2,5-Cyclohexadienone c5664335  
1199 C6H5SH Benzenethiol phsh  
1200 HO2CCHNH2CH2OH Serine serine  
1201 C5H8O2 Acetylacetone acac  
1202 C4H8O2S Sulfolane sulfolane  
1203 C7H10 Norbornene norbornene  
1204 CH(C2H3)3 trivinyl methane tvm  
1205 C6H12O hexanal c6h12o  
1206 C6H12O Oxepane oxepane  
1207 C3H7OC3H7 di-n-propyl ether propr  
1208 F2CCCF2 tetrafluoroallene pfa  
1209 CF3COO- trifluoro acetate anion cf3coo-  
1210 CF3COF trifluoroacetyl fluoride cf3cof  
1211 CF3COCl trifluoroacetyl chloride cf3cocl  
1212 PF6 Hexafluorophosphate neutral pf6  
1213 SeF6 Selenium hexafluoride sef6  
1214 CF3CHF2 pentafluoroethane cf3chf2  
1215 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1216 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1217 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1218 CCl3CHCl2 pentachloroethane ccl3chcl2  
1219 C6H5Cl chlorobenzene bzcl  
1220 C6H5Br bromobenzene bzbr  
1221 C8H6 Calicene calicene  
1222 C8H6 benzocyclobutadiene bcbd  
1223 C8H6 Pentalene pentalene  
1224 CH3C6H4CH3 meta-xylene mxylene  
1225 CH3C6H4CH3 paraxylene pxylene  
1226 C8H14 Bicyclo[2.2.2]octane bico222  
1227 C8H16 cyclooctane cyclooct  
1228 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1229 C4O4-- squarate dianion c4o4--  
1230 S4N4 Tetrasulfur tetranitride s4n4  
1231 C4H4N2O2 Uracil uracil  
1232 C5H9NO2 Proline proline  
1233 C6H12O2 Methyl pivalate c598981  
1234 C6H12O2 Hexanoic acid hexa  
1235 C4F4 tetrafluorcyclobutadiene c4f4  
1236 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1237 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1238 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1239 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1240 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1241 IF7 Iodine heptafluoride if7  
1242 C6H4F2 metadifluorobenzene mdfb  
1243 C6H4Cl2 1,2-dichlorobenzene dcb12  
1244 C6H4Cl2 1,3-dichlorobenzene dcb13  
1245 C6H4Cl2 1,4-dichlorobenzene dcb14  
1246 C6H5NO nitrosobenzene bzno  
1247 C9H8 Indene indene  
1248 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1249 C9H12 n-propyl benzene prbz  
1250 C9H20 Nonane nonane  
1251 C(CN)4 tetracyanomethane c5n4  
1252 C5H4N4 purine purine  
1253 C8H7N Indole indole  
1254 C3H3N3O3 cyanuric acid cyanuric  
1255 CH3COC6H5 acetophenone acph  
1256 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1257 C3F6 hexafluoropropene c3f6  
1258 C6H3F3 Benzene trifluoride 123 bzf3a  
1259 C8H18O 1-Octanol octanol  
1260 C10H8 Azulene azu  
1261 C10H10 bullvalene bullv  
1262 C6N4 Tetracyanoethylene tcne  
1263 C6N4- tetracyanoethylene anion tcne-  
1264 C10H22 Decane decane  
1265 C4F6 perfluorobutadiene c4f6  
1266 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1267 C3F8 perfluoropropane c3f8  
1268 Fe(CO)5 Iron pentacarbonyl ipc  
1269 Fe(C5H5)2 ferrocene fecp2  
1270 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1271 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1272 C12H8 Acenaphthylene acenaph  
1273 C12H8 biphenylene biph  
1274 C12H10 Heptalene heptalene  
1275 C6H12O6 Inositol inositol  
1276 C6F6 hexafluorobenzene c6f6  
1277 S2F10 disulphur decafluoride s2f10  
1278 C13H10 Fluorene fluorene  
1279 C14H10 Phenanthrene phenanthrene  
1280 C14H14 Bibenzyl bibenzyl  
1281 C12H10N2 azobenzene azobenzene  
1282 C6H5COC6H5 benzophenone benzophenone  
1283 C16H10 Pyrene pyrene  
1284 C18H12 Tetracene tetracene  
1285 C19H16 Triphenylmethane tpm  
1286 C24H12 Coronene coronene  
1287 C60 Buckminsterfullerene c60